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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
61851 |
26714210 |
1 |
BrON2C19H19 |
ABC2D19E19 |
4.05 |
3.12 |
-8.49 |
-0.27 |
0 |
|
|
61852 |
26714212 |
1 |
BrClSN2O2H16C19 |
ABCD2E2F16G19 |
-30.93 |
1.98 |
-8.88 |
-1.16 |
0 |
|
|
61853 |
26714214 |
1 |
BrClSN2O3C17H18 |
ABCD2E3F17G18 |
-84.72 |
2.37 |
-9.59 |
-1.21 |
0 |
|
|
61854 |
26714216 |
1 |
BrNO2C19H20 |
ABC2D19E20 |
-55.38 |
3.63 |
-9.49 |
-0.51 |
0 |
|
|
61855 |
26714233 |
1 |
BrClSN2O4C19H20 |
ABCD2E4F19G20 |
-120.91 |
5.89 |
-9.4 |
-1.25 |
0 |
|
|
61856 |
26714290 |
1 |
BrCl2N2O3H13C18 |
AB2C2D3E13F18 |
-81.22 |
3.77 |
-9.6 |
-2.12 |
0 |
|
|
61857 |
26714355 |
1 |
FO2Cl3N4H14C20 |
AB2C3D4E14F20 |
-27.58 |
2.19 |
-9.42 |
-1.15 |
0 |
|
|
61858 |
26714356 |
1 |
BrSCl2N2O2H13C16 |
ABC2D2E2F13G16 |
-31.18 |
2.85 |
-9.18 |
-1.14 |
0 |
|
|
61859 |
26714377 |
1 |
SCl2N2O4H12C15 |
AB2C2D4E12F15 |
-107.37 |
5.06 |
-10.01 |
-1.23 |
0 |
|
|
61860 |
26714725 |
1 |
SN2O6C21H24 |
AB2C6D21E24 |
-175.41 |
3.44 |
-8.68 |
-1.23 |
0 |
|
|
61861 |
26714740 |
1 |
SN2O6H20C22 |
AB2C6D20E22 |
-156.01 |
8.1 |
-9.65 |
-1.23 |
0 |
|
|
61862 |
26714891 |
1 |
SN3O5C24H31 |
AB3C5D24E31 |
-187.78 |
8.28 |
-9.26 |
-0.8 |
0 |
|
|
61863 |
26714911 |
1 |
N3O5C25H33 |
A3B5C25D33 |
-194.94 |
5.23 |
-8.59 |
-0.33 |
0 |
|
|
61864 |
26714968 |
1 |
SN3O4C26H29 |
AB3C4D26E29 |
-120.96 |
4.76 |
-8.77 |
-1.1 |
0 |
|
|
61865 |
26715033 |
1 |
SN4O5C20H28 |
AB4C5D20E28 |
-216.6 |
11.0 |
-9.39 |
-0.69 |
0 |
|
|
61866 |
26715079 |
1 |
S2N3O4C20H25 |
A2B3C4D20E25 |
-141.13 |
8.8 |
-8.71 |
-0.93 |
0 |
|
|
61867 |
26715080 |
1 |
SN4O5C17H20 |
AB4C5D17E20 |
-98.23 |
9.48 |
-9.46 |
-1.49 |
0 |
|
|
61868 |
26715085 |
1 |
S2N3O4C20H25 |
A2B3C4D20E25 |
-144.03 |
8.88 |
-9.23 |
-0.82 |
0 |
|
|
61869 |
26715134 |
1 |
S2N3O5C20H27 |
A2B3C5D20E27 |
-178.83 |
3.65 |
-9.66 |
-1.38 |
0 |
|
|
61870 |
26715150 |
1 |
SN3O6C22H29 |
AB3C6D22E29 |
-218.5 |
3.86 |
-8.75 |
-0.76 |
0 |
|
|
61871 |
26715188 |
1 |
SN2O5C21H26 |
AB2C5D21E26 |
-180.58 |
4.59 |
-9.51 |
-0.73 |
0 |
|
|
61872 |
26715268 |
1 |
SCl2N3O5H17C19 |
AB2C3D5E17F19 |
-164.19 |
6.9 |
-9.67 |
-2.07 |
0 |
|
|
61873 |
26715310 |
1 |
SN3O5C15H17 |
AB3C5D15E17 |
-148.09 |
7.79 |
-9.55 |
-0.73 |
0 |
|
|
61874 |
26715320 |
1 |
S2N3O5C22H29 |
A2B3C5D22E29 |
-172.8 |
3.82 |
-9.45 |
-0.78 |
0 |
|
|
61875 |
26715330 |
1 |
ClSN3O7H18C21 |
ABC3D7E18F21 |
-123.2 |
4.77 |
-9.64 |
-1.84 |
0 |
|
|
61876 |
26715348 |
1 |
FSO3N4C21H21 |
ABC3D4E21F21 |
-76.75 |
8.59 |
-9.23 |
-1.09 |
0 |
|
|
61877 |
26715354 |
1 |
ClSN2O5C17H19 |
ABC2D5E17F19 |
-158.22 |
9.98 |
-9.53 |
-1.02 |
0 |
|
|
61878 |
26715355 |
1 |
ClSN2O5C19H21 |
ABC2D5E19F21 |
-146.27 |
9.2 |
-8.82 |
-1.2 |
0 |
|
|
61879 |
26715369 |
1 |
ClN2S2O3H21C22 |
AB2C2D3E21F22 |
-58.87 |
7.47 |
-9.45 |
-0.96 |
0 |
|
|
61880 |
26715376 |
1 |
SN4O4C20H22 |
AB4C4D20E22 |
-90.12 |
7.92 |
-9.1 |
-0.85 |
0 |
|
|
61881 |
26715379 |
1 |
ClSN2O5C19H21 |
ABC2D5E19F21 |
-148.08 |
7.92 |
-8.89 |
-1.11 |
0 |
|
|
61882 |
26715400 |
1 |
S2N3O6C19H25 |
A2B3C6D19E25 |
-200.7 |
5.72 |
-9.53 |
-1.1 |
0 |
|
|
61883 |
26715401 |
1 |
SN2O5C19H22 |
AB2C5D19E22 |
-136.02 |
6.81 |
-9.02 |
-0.76 |
0 |
|
|
61884 |
26715416 |
1 |
ClSN2F3O3H14C17 |
ABC2D3E3F14G17 |
-227.7 |
5.01 |
-9.64 |
-1.62 |
0 |
|
|
61885 |
26715418 |
1 |
SN2F3O4H15C17 |
AB2C3D4E15F17 |
-260.78 |
6.35 |
-9.5 |
-1.38 |
0 |
|
|
61886 |
26715424 |
1 |
S2N3O6C19H23 |
A2B3C6D19E23 |
-175.65 |
10.04 |
-9.36 |
-1.13 |
0 |
|
|
61887 |
26715441 |
1 |
S2N3O5C22H29 |
A2B3C5D22E29 |
-168.37 |
7.17 |
-9.25 |
-0.84 |
0 |
|
|
61888 |
26715445 |
1 |
S2N3O5C23H25 |
A2B3C5D23E25 |
-137.36 |
7.36 |
-9.49 |
-1.09 |
0 |
|
|
61889 |
26715448 |
1 |
SN2O5C18H22 |
AB2C5D18E22 |
-160.24 |
8.09 |
-8.47 |
-0.74 |
0 |
|
|
61890 |
26715451 |
1 |
FS2N3O5H18C20 |
AB2C3D5E18F20 |
-168.88 |
6.13 |
-9.35 |
-1.35 |
0 |
|
|
61891 |
26715454 |
1 |
SN3O5C17H21 |
AB3C5D17E21 |
-192.43 |
6.65 |
-9.62 |
-0.74 |
0 |
|
|
61892 |
26715455 |
1 |
SN3O5C17H21 |
AB3C5D17E21 |
-192.44 |
6.92 |
-9.64 |
-0.74 |
0 |
|
|
61893 |
26715458 |
1 |
SN3O5C23H29 |
AB3C5D23E29 |
-170.97 |
9.24 |
-9.43 |
-0.78 |
0 |
|
|
61894 |
26715459 |
1 |
SN3O5C21H27 |
AB3C5D21E27 |
-195.18 |
9.64 |
-9.42 |
-0.67 |
0 |
|
|
61895 |
26715462 |
1 |
SN3O5H21C24 |
AB3C5D21E24 |
-112.93 |
6.17 |
-9.58 |
-2.13 |
0 |
|
|
61896 |
26715481 |
1 |
ClN2S2O3C17H19 |
AB2C2D3E17F19 |
-92.62 |
6.42 |
-9.25 |
-0.87 |
0 |
|
|
61897 |
26715505 |
1 |
FSN2O6C21H25 |
ABC2D6E21F25 |
-245.46 |
1.76 |
-8.46 |
-0.9 |
0 |
|
|
61898 |
26715516 |
1 |
ClS2N3O5C18H22 |
AB2C3D5E18F22 |
-169.22 |
5.66 |
-9.62 |
-1.48 |
0 |
|
|
61899 |
26715519 |
1 |
N3S3O5H17C18 |
A3B3C5D17E18 |
-112.17 |
13.03 |
-9.23 |
-1.59 |
0 |
|
|
61900 |
26715526 |
1 |
Cl2N2S2O3H14C15 |
A2B2C2D3E14F15 |
-85.16 |
7.16 |
-9.56 |
-1.36 |
0 |
|
|
61901 |
26715537 |
1 |
FSN2O3C21H25 |
ABC2D3E21F25 |
-127.36 |
7.36 |
-9.25 |
-0.56 |
0 |
|
|
61902 |
26715542 |
1 |
O2N5H15C19 |
A2B5C15D19 |
32.27 |
7.82 |
-8.41 |
-1.1 |
0 |
|
|
61903 |
26715551 |
1 |
FON3H16C19 |
ABC3D16E19 |
13.59 |
3.81 |
-8.68 |
-0.9 |
0 |
|
|
61904 |
26715561 |
2 |
NSO3C11H11 |
ABC3D11E11 |
-182.99 |
13.88 |
-9.34 |
-1.1 |
0 |
|
|
61905 |
26715563 |
1 |
SN2O3C16H18 |
AB2C3D16E18 |
-88.0 |
8.48 |
-9.45 |
-0.69 |
0 |
|
|
61906 |
26715564 |
1 |
SO3N4C22H24 |
AB3C4D22E24 |
-23.59 |
6.85 |
-9.06 |
-1.12 |
0 |
|
|
61907 |
26715569 |
2 |
N2O2C10H11 |
A2B2C10D11 |
-145.71 |
6.14 |
-8.54 |
-0.65 |
0 |
|
|
61908 |
26715579 |
1 |
FN2O3C20H23 |
AB2C3D20E23 |
-164.87 |
4.01 |
-8.78 |
-0.59 |
0 |
|
|
61909 |
26715642 |
1 |
N2O3C29H30 |
A2B3C29D30 |
-53.96 |
6.48 |
-8.18 |
-0.06 |
0 |
|
|
61910 |
26715653 |
1 |
S2N3O5C20H25 |
A2B3C5D20E25 |
-166.99 |
6.0 |
-9.61 |
-1.02 |
0 |
|
|
61911 |
26715682 |
1 |
ClFN3O4H17C24 |
ABC3D4E17F24 |
-81.07 |
5.22 |
-8.89 |
-0.97 |
0 |
|
|
61912 |
26715708 |
1 |
O3N4H18C20 |
A3B4C18D20 |
-3.6 |
5.04 |
-8.76 |
-0.89 |
0 |
|
|
61913 |
26715711 |
1 |
O2N3H13C21 |
A2B3C13D21 |
86.85 |
5.65 |
-9.3 |
-1.73 |
0 |
|
|
61914 |
26715717 |
1 |
N3O5C19H21 |
A3B5C19D21 |
-94.52 |
3.75 |
-8.87 |
-0.39 |
0 |
|
|
61915 |
26715800 |
1 |
BrN2O5C19H21 |
AB2C5D19E21 |
-136.1 |
4.52 |
-8.85 |
-0.65 |
0 |
|
|
61916 |
26715801 |
1 |
SN3O6C24H31 |
AB3C6D24E31 |
-201.22 |
6.15 |
-8.79 |
-0.83 |
0 |
|
|
61917 |
26715848 |
1 |
SO2N3C21H21 |
AB2C3D21E21 |
-18.44 |
5.92 |
-9.06 |
-0.68 |
0 |
|
|
61918 |
26715858 |
1 |
SN3O5C22H27 |
AB3C5D22E27 |
-153.8 |
6.91 |
-9.0 |
-0.29 |
0 |
|
|
61919 |
26715860 |
1 |
BrN3O5H14C16 |
AB3C5D14E16 |
-57.52 |
7.41 |
-9.13 |
-1.54 |
0 |
|
|
61920 |
26715864 |
1 |
N3O3C19H23 |
A3B3C19D23 |
-16.2 |
9.01 |
-9.47 |
-1.34 |
0 |
|
|
61921 |
26715873 |
1 |
N4O5C20H20 |
A4B5C20D20 |
-132.67 |
6.14 |
-8.99 |
-1.26 |
0 |
|
|
61922 |
26715876 |
1 |
SN3O5C20H23 |
AB3C5D20E23 |
-132.34 |
5.96 |
-8.71 |
-1.03 |
0 |
|
|
61923 |
26715877 |
1 |
SN2O3C19H22 |
AB2C3D19E22 |
-71.67 |
2.54 |
-8.76 |
-0.3 |
0 |
|
|
61924 |
26715879 |
1 |
ClSN2O3H21C23 |
ABC2D3E21F23 |
-42.32 |
0.86 |
-8.84 |
-0.79 |
0 |
|
|
61925 |
26715880 |
1 |
N2O5C23H28 |
A2B5C23D28 |
-138.15 |
3.14 |
-8.47 |
-0.73 |
0 |
|
|
61926 |
26715904 |
1 |
ClN2O5C20H23 |
AB2C5D20E23 |
-152.59 |
5.64 |
-8.82 |
-0.65 |
0 |
|
|
61927 |
26715915 |
1 |
ClOF3N3C21H23 |
ABC3D3E21F23 |
-165.54 |
8.47 |
-8.77 |
-0.68 |
0 |
|
|
61928 |
26715921 |
1 |
SN3O3C21H23 |
AB3C3D21E23 |
-75.61 |
2.73 |
-8.62 |
-0.29 |
0 |
|
|
61929 |
26715928 |
1 |
F2N2O5C21H22 |
A2B2C5D21E22 |
-237.37 |
4.67 |
-8.96 |
-0.85 |
0 |
|
|
61930 |
26715930 |
1 |
Cl2N2O5C22H22 |
A2B2C5D22E22 |
-182.9 |
4.62 |
-9.4 |
-1.0 |
0 |
|
|
61931 |
26715934 |
1 |
N3O5H21C23 |
A3B5C21D23 |
-118.81 |
6.7 |
-8.57 |
-0.45 |
0 |
|
|
61932 |
26715946 |
1 |
FSN3O5C20H24 |
ABC3D5E20F24 |
-192.99 |
4.54 |
-8.86 |
-1.19 |
0 |
|
|
61933 |
26715956 |
1 |
ClSN2O5H23C25 |
ABC2D5E23F25 |
-163.44 |
1.86 |
-8.84 |
-0.66 |
0 |
|
|
61934 |
26715970 |
1 |
N2O5C23H26 |
A2B5C23D26 |
-139.91 |
4.82 |
-8.36 |
-0.7 |
0 |
|
|
61935 |
26715972 |
1 |
SN4O4H18C23 |
AB4C4D18E23 |
-39.7 |
4.22 |
-9.05 |
-1.41 |
0 |
|
|
61936 |
26715990 |
1 |
ClSN3O5C18H20 |
ABC3D5E18F20 |
-136.25 |
9.45 |
-9.06 |
-1.28 |
0 |
|
|
61937 |
26715992 |
1 |
SN3O5C20H25 |
AB3C5D20E25 |
-156.06 |
3.2 |
-8.86 |
-1.1 |
0 |
|
|
61938 |
26715994 |
1 |
SN3O8C23H29 |
AB3C8D23E29 |
-326.86 |
12.01 |
-8.92 |
-1.0 |
0 |
|
|
61939 |
26715995 |
1 |
SN3O5C19H23 |
AB3C5D19E23 |
-148.33 |
3.81 |
-9.02 |
-1.1 |
0 |
|
|
61940 |
26715997 |
1 |
SN3O6C21H25 |
AB3C6D21E25 |
-164.33 |
7.87 |
-8.85 |
-0.98 |
0 |
|
|
61941 |
26715999 |
1 |
SN3O7H23C24 |
AB3C7D23E24 |
-136.06 |
9.26 |
-8.92 |
-1.64 |
0 |
|
|
61942 |
26716004 |
1 |
ClN2O5C23H27 |
AB2C5D23E27 |
-146.61 |
1.51 |
-8.6 |
-0.67 |
0 |
|
|
61943 |
26716068 |
1 |
SN3O5C24H29 |
AB3C5D24E29 |
-135.95 |
6.27 |
-8.98 |
-0.93 |
0 |
|
|
61944 |
26716107 |
1 |
ClNO3C22H26 |
ABC3D22E26 |
-85.19 |
5.78 |
-8.98 |
-0.56 |
0 |
|
|
61945 |
26716108 |
1 |
ClNO3C22H26 |
ABC3D22E26 |
-84.28 |
7.21 |
-8.66 |
-0.32 |
0 |
|
|
61946 |
26716109 |
1 |
SN3O5C25H25 |
AB3C5D25E25 |
-106.22 |
4.79 |
-8.96 |
-1.1 |
0 |
|
|
61947 |
26716125 |
1 |
N4O5C22H26 |
A4B5C22D26 |
-73.07 |
8.35 |
-8.86 |
-1.08 |
0 |
|
|
61948 |
26716126 |
1 |
ClN3O3H14C15 |
AB3C3D14E15 |
-53.18 |
4.93 |
-9.01 |
-1.09 |
0 |
|
|
61949 |
26716131 |
1 |
BrN2O4H15C16 |
AB2C4D15E16 |
-66.64 |
2.02 |
-8.78 |
-1.2 |
0 |
|
|
61950 |
26716170 |
1 |
N2O6C19H22 |
A2B6C19D22 |
-171.6 |
4.34 |
-8.7 |
-0.49 |
0 |