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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
134912 |
51781698 |
1 |
N2F3O3C19H25 |
A2B3C3D19E25 |
-286.49 |
7.63 |
-9.93 |
-0.62 |
0 |
|
|
134913 |
51782873 |
1 |
SN3O7C25H25 |
AB3C7D25E25 |
-134.92 |
8.13 |
-9.27 |
-1.89 |
0 |
|
|
134914 |
51782874 |
1 |
N3O5C23H27 |
A3B5C23D27 |
-99.33 |
9.33 |
-9.28 |
-1.54 |
0 |
|
|
134915 |
51783196 |
1 |
SN2F3O4H25C26 |
AB2C3D4E25F26 |
-260.74 |
9.85 |
-9.67 |
-0.65 |
0 |
|
|
134916 |
51783197 |
1 |
SN2F3O4H25C26 |
AB2C3D4E25F26 |
-260.03 |
8.89 |
-9.65 |
-0.68 |
0 |
|
|
134917 |
51783215 |
1 |
N2O3C21H26 |
A2B3C21D26 |
-107.68 |
0.59 |
-9.04 |
0.06 |
0 |
|
|
134918 |
51783216 |
1 |
SN2O5C25H26 |
AB2C5D25E26 |
-140.94 |
6.8 |
-9.43 |
-0.48 |
0 |
|
|
134919 |
51783217 |
1 |
SN2O5C25H26 |
AB2C5D25E26 |
-142.1 |
5.12 |
-9.04 |
-0.4 |
0 |
|
|
134920 |
51783218 |
1 |
N2O3C23H28 |
A2B3C23D28 |
-107.28 |
4.0 |
-9.17 |
-0.07 |
0 |
|
|
134921 |
51783219 |
1 |
N2O3C23H28 |
A2B3C23D28 |
-104.93 |
3.07 |
-9.26 |
-0.16 |
0 |
|
|
134922 |
51783220 |
1 |
N2O3C25H34 |
A2B3C25D34 |
-128.96 |
4.76 |
-9.27 |
-0.18 |
0 |
|
|
134923 |
51783221 |
1 |
N2O3C25H34 |
A2B3C25D34 |
-128.25 |
7.16 |
-8.96 |
-0.14 |
0 |
|
|
134924 |
51783222 |
1 |
N2O3C21H26 |
A2B3C21D26 |
-100.43 |
4.25 |
-9.22 |
-0.11 |
0 |
|
|
134925 |
51783364 |
1 |
N2O3C24H30 |
A2B3C24D30 |
-104.96 |
2.1 |
-8.79 |
0.1 |
0 |
|
|
134926 |
51783365 |
1 |
N2O3C24H30 |
A2B3C24D30 |
-103.51 |
3.51 |
-8.82 |
0.15 |
0 |
|
|
134927 |
51783550 |
1 |
N2O3C21H28 |
A2B3C21D28 |
-118.0 |
5.56 |
-8.63 |
-0.62 |
0 |
|
|
134928 |
51784341 |
1 |
ClN2O3C26H33 |
AB2C3D26E33 |
-128.82 |
2.17 |
-8.73 |
-0.28 |
0 |
|
|
134929 |
51784569 |
1 |
ClN2O3C23H29 |
AB2C3D23E29 |
-121.51 |
7.24 |
-9.15 |
-0.61 |
0 |
|
|
134930 |
51784570 |
1 |
ClN2O3C23H29 |
AB2C3D23E29 |
-134.43 |
3.62 |
-9.02 |
-0.41 |
0 |
|
|
134931 |
51785069 |
1 |
ClN2O2C30H41 |
AB2C2D30E41 |
-98.66 |
3.85 |
-9.21 |
-0.58 |
0 |
|
|
134932 |
51785267 |
1 |
ClN2O3C30H39 |
AB2C3D30E39 |
-109.15 |
6.1 |
-8.7 |
-0.64 |
0 |
|
|
134933 |
51785995 |
1 |
ClN2O3C27H37 |
AB2C3D27E37 |
-129.19 |
1.93 |
-9.04 |
-0.25 |
0 |
|
|
134934 |
51786209 |
1 |
ClN2O2C25H41 |
AB2C2D25E41 |
-150.49 |
5.26 |
-9.35 |
-0.23 |
0 |
|
|
134935 |
51786210 |
1 |
ClN2O2C25H41 |
AB2C2D25E41 |
-155.7 |
2.5 |
-9.38 |
-0.4 |
0 |
|
|
134936 |
51786252 |
2 |
ClNOC13H17 |
ABCD13E17 |
-105.83 |
3.49 |
-9.4 |
-0.44 |
0 |
|
|
134937 |
51786368 |
1 |
ClN2O2C30H35 |
AB2C2D30E35 |
-67.29 |
4.92 |
-9.04 |
-0.28 |
0 |
|
|
134938 |
51786437 |
1 |
ClN2O2C32H37 |
AB2C2D32E37 |
-59.14 |
3.98 |
-9.27 |
-0.52 |
0 |
|
|
134939 |
51786599 |
1 |
ClN2O2C33H41 |
AB2C2D33E41 |
-77.52 |
7.08 |
-9.18 |
-0.49 |
0 |
|
|
134940 |
51786697 |
1 |
Cl2N2O2C27H28 |
A2B2C2D27E28 |
-53.13 |
3.13 |
-9.51 |
-0.71 |
0 |
|
|
134941 |
51786798 |
2 |
ClNO2C14H14 |
ABC2D14E14 |
-124.72 |
1.68 |
-8.66 |
-0.79 |
0 |
|
|
134942 |
51787224 |
1 |
ClN2O4C31H31 |
AB2C4D31E31 |
-89.06 |
6.67 |
-8.58 |
-0.64 |
0 |
|
|
134943 |
51787350 |
1 |
ClN2O5C29H31 |
AB2C5D29E31 |
-154.45 |
7.05 |
-8.51 |
-0.59 |
0 |
|
|
134944 |
51787386 |
1 |
ClN2O3C25H27 |
AB2C3D25E27 |
-72.36 |
4.58 |
-9.25 |
-0.21 |
0 |
|
|
134945 |
51787872 |
1 |
ClN2O3C21H23 |
AB2C3D21E23 |
-99.17 |
6.02 |
-9.12 |
-0.37 |
0 |
|
|
134946 |
51787992 |
1 |
ClN2O2C18H23 |
AB2C2D18E23 |
-80.05 |
1.79 |
-9.33 |
-0.47 |
0 |
|
|
134947 |
51787993 |
1 |
ClN2O2C18H23 |
AB2C2D18E23 |
-79.1 |
1.96 |
-9.33 |
-0.46 |
0 |
|
|
134948 |
51787994 |
1 |
ClN2O2C20H29 |
AB2C2D20E29 |
-91.61 |
2.37 |
-9.37 |
-0.44 |
0 |
|
|
134949 |
51788239 |
1 |
ClN3O5C24H26 |
AB3C5D24E26 |
-105.27 |
6.73 |
-9.85 |
-1.3 |
0 |
|
|
134950 |
51788796 |
1 |
ClN2O4C31H37 |
AB2C4D31E37 |
-161.09 |
5.88 |
-8.88 |
-0.41 |
0 |
|
|
134951 |
51788827 |
1 |
ClN2O4C24H31 |
AB2C4D24E31 |
-173.08 |
5.41 |
-9.3 |
-0.76 |
0 |
|
|
134952 |
51789022 |
1 |
ClN2O5C23H23 |
AB2C5D23E23 |
-144.61 |
6.58 |
-8.78 |
-0.71 |
0 |
|
|
134953 |
51789439 |
1 |
ClSN2O2C23H27 |
ABC2D2E23F27 |
-58.36 |
7.65 |
-8.94 |
-0.4 |
0 |
|
|
134954 |
51789440 |
1 |
ClSN2O2C25H33 |
ABC2D2E25F33 |
-88.95 |
2.09 |
-9.1 |
-0.36 |
0 |
|
|
134955 |
51789824 |
2 |
ClNOC15H16 |
ABCD15E16 |
-62.37 |
4.87 |
-9.34 |
-0.66 |
0 |
|
|
134956 |
51789825 |
2 |
ClNOC15H16 |
ABCD15E16 |
-59.77 |
5.47 |
-9.19 |
-0.46 |
0 |
|
|
134957 |
51789826 |
2 |
ClNOC15H16 |
ABCD15E16 |
-58.43 |
6.03 |
-9.27 |
-0.64 |
0 |
|
|
134958 |
51789827 |
2 |
ClNOC15H16 |
ABCD15E16 |
-62.42 |
4.91 |
-9.33 |
-0.74 |
0 |
|
|
134959 |
51789828 |
2 |
ClNOC14H15 |
ABCD14E15 |
-58.72 |
3.9 |
-9.5 |
-0.59 |
0 |
|
|
134960 |
51789829 |
2 |
ClNOC14H15 |
ABCD14E15 |
-50.37 |
8.84 |
-9.18 |
-0.78 |
0 |
|
|
134961 |
51789949 |
1 |
ClN2O4C26H31 |
AB2C4D26E31 |
-130.97 |
1.49 |
-8.7 |
-0.55 |
0 |
|
|
134962 |
51790095 |
1 |
ClN2O2C27H29 |
AB2C2D27E29 |
-47.11 |
4.36 |
-9.03 |
-0.52 |
0 |
|
|
134963 |
51790154 |
1 |
ClN2O2C27H29 |
AB2C2D27E29 |
-37.86 |
4.31 |
-9.27 |
-0.42 |
0 |
|
|
134964 |
51790250 |
1 |
ClSN2O4C28H31 |
ABC2D4E28F31 |
-125.08 |
8.29 |
-9.73 |
-0.64 |
0 |
|
|
134965 |
51790251 |
1 |
ClSN2O4C28H31 |
ABC2D4E28F31 |
-128.47 |
5.38 |
-9.44 |
-0.49 |
0 |
|
|
134966 |
51790577 |
1 |
ClSN2O4C26H33 |
ABC2D4E26F33 |
-161.3 |
8.03 |
-9.65 |
-0.64 |
0 |
|
|
134967 |
51790578 |
1 |
ClN2O2C24H35 |
AB2C2D24E35 |
-128.39 |
1.81 |
-9.4 |
-0.33 |
0 |
|
|
134968 |
51790583 |
1 |
ClN2O2C22H33 |
AB2C2D22E33 |
-127.11 |
3.07 |
-9.47 |
-0.5 |
0 |
|
|
134969 |
51790603 |
1 |
ClN2O3C22H27 |
AB2C3D22E27 |
-121.51 |
2.72 |
-9.05 |
-0.38 |
0 |
|
|
134970 |
51790604 |
1 |
ClN2O2C24H31 |
AB2C2D24E31 |
-100.85 |
2.24 |
-9.03 |
-0.24 |
0 |
|
|
134971 |
51790958 |
2 |
ClNOC13H17 |
ABCD13E17 |
-104.23 |
2.63 |
-9.37 |
-0.69 |
0 |
|
|
134972 |
51791484 |
1 |
ClN2O3C24H31 |
AB2C3D24E31 |
-135.34 |
4.64 |
-9.23 |
-0.29 |
0 |
|
|
134973 |
51791729 |
1 |
ClN3O3C31H42 |
AB3C3D31E42 |
-143.89 |
5.09 |
-9.72 |
-0.64 |
0 |
|
|
134974 |
51791730 |
1 |
ClN3O3C27H34 |
AB3C3D27E34 |
-118.89 |
2.62 |
-9.22 |
-0.34 |
0 |
|
|
134975 |
51791731 |
1 |
ClN3O3C27H34 |
AB3C3D27E34 |
-114.29 |
11.37 |
-9.64 |
-0.89 |
0 |
|
|
134976 |
51791732 |
1 |
ClN3O4C27H28 |
AB3C4D27E28 |
-120.51 |
3.13 |
-9.43 |
-0.47 |
0 |
|
|
134977 |
51791747 |
1 |
ClN3O3C31H34 |
AB3C3D31E34 |
-89.55 |
3.97 |
-9.18 |
-0.46 |
0 |
|
|
134978 |
51792074 |
1 |
ClN3O3C20H26 |
AB3C3D20E26 |
-118.7 |
7.21 |
-9.61 |
-0.92 |
0 |
|
|
134979 |
51792273 |
1 |
ClN3O4C26H26 |
AB3C4D26E26 |
-38.85 |
6.52 |
-9.42 |
-1.63 |
0 |
|
|
134980 |
51792711 |
1 |
Cl2N3O5C21H23 |
A2B3C5D21E23 |
-115.31 |
5.53 |
-9.74 |
-1.43 |
0 |
|
|
134981 |
51793223 |
1 |
N2O2Cl3H23C25 |
A2B2C3D23E25 |
-48.6 |
4.49 |
-9.48 |
-0.72 |
0 |
|
|
134982 |
51793224 |
1 |
N2O2Cl3H23C25 |
A2B2C3D23E25 |
-45.22 |
3.44 |
-9.51 |
-0.51 |
0 |
|
|
134983 |
51793465 |
1 |
ClN3O4C27H32 |
AB3C4D27E32 |
-88.82 |
3.03 |
-9.59 |
-1.75 |
0 |
|
|
134984 |
51793466 |
1 |
ClN3O4C27H32 |
AB3C4D27E32 |
-83.75 |
8.38 |
-9.84 |
-1.44 |
0 |
|
|
134985 |
51793812 |
1 |
ClN2O3C31H37 |
AB2C3D31E37 |
-103.11 |
4.42 |
-8.85 |
-0.54 |
0 |
|
|
134986 |
51793979 |
1 |
ClN2O2C27H37 |
AB2C2D27E37 |
-106.58 |
2.23 |
-9.22 |
-0.34 |
0 |
|
|
134987 |
51793980 |
1 |
ClN2O2C27H37 |
AB2C2D27E37 |
-104.53 |
2.11 |
-9.25 |
-0.32 |
0 |
|
|
134988 |
51794089 |
1 |
ClSN2O4C24H31 |
ABC2D4E24F31 |
-158.58 |
9.25 |
-9.49 |
-0.7 |
0 |
|
|
134989 |
51794639 |
1 |
ClN2O3C24H29 |
AB2C3D24E29 |
-110.54 |
6.64 |
-8.84 |
-0.37 |
0 |
|
|
134990 |
51794662 |
1 |
ClN2O5C27H35 |
AB2C5D27E35 |
-226.08 |
5.76 |
-9.14 |
-0.42 |
0 |
|
|
134991 |
51794664 |
1 |
ClN2O5C23H27 |
AB2C5D23E27 |
-208.06 |
4.33 |
-9.1 |
-0.22 |
0 |
|
|
134992 |
51794723 |
1 |
ClN2O2C24H33 |
AB2C2D24E33 |
-100.36 |
3.75 |
-9.14 |
-0.27 |
0 |
|
|
134993 |
51794733 |
1 |
ClN2O2C25H29 |
AB2C2D25E29 |
-66.37 |
6.06 |
-9.38 |
-0.52 |
0 |
|
|
134994 |
51794886 |
1 |
ClN2O3C22H27 |
AB2C3D22E27 |
-122.24 |
3.22 |
-9.09 |
-0.42 |
0 |
|
|
134995 |
51794898 |
1 |
ClN2O2C24H31 |
AB2C2D24E31 |
-101.21 |
3.14 |
-9.23 |
-0.19 |
0 |
|
|
134996 |
51795326 |
2 |
ClNO2C13H17 |
ABC2D13E17 |
-166.79 |
1.36 |
-8.37 |
-0.62 |
0 |
|
|
134997 |
51795387 |
1 |
Cl2O2N3C22H27 |
A2B2C3D22E27 |
-67.54 |
6.2 |
-8.32 |
-0.76 |
0 |
|
|
134998 |
51795574 |
1 |
ClN2O3C21H25 |
AB2C3D21E25 |
-107.76 |
8.0 |
-9.53 |
-0.42 |
0 |
|
|
134999 |
51795626 |
1 |
ClSN2O5H23C24 |
ABC2D5E23F24 |
-142.14 |
5.66 |
-9.92 |
-0.68 |
0 |
|
|
135000 |
51795710 |
1 |
ClN2O3C21H31 |
AB2C3D21E31 |
-155.4 |
5.57 |
-9.61 |
-0.86 |
0 |
|
|
135001 |
51795711 |
1 |
ClN2O3C21H31 |
AB2C3D21E31 |
-159.44 |
2.84 |
-9.67 |
-0.72 |
0 |
|
|
135002 |
51795880 |
1 |
ClN2O2C27H43 |
AB2C2D27E43 |
-141.5 |
1.1 |
-9.31 |
-0.32 |
0 |
|
|
135003 |
51795985 |
2 |
ClNOC14H19 |
ABCD14E19 |
-120.62 |
3.44 |
-9.4 |
-0.59 |
0 |
|
|
135004 |
51795986 |
2 |
ClNOC12H15 |
ABCD12E15 |
-97.26 |
4.52 |
-9.52 |
-0.5 |
0 |
|
|
135005 |
51795987 |
2 |
ClNOC12H15 |
ABCD12E15 |
-95.0 |
3.22 |
-9.48 |
-0.65 |
0 |
|
|
135006 |
51796161 |
1 |
ClN3O5C28H30 |
AB3C5D28E30 |
-163.17 |
5.63 |
-8.57 |
-0.42 |
0 |
|
|
135007 |
51796214 |
1 |
ClN3O6C25H28 |
AB3C6D25E28 |
-253.18 |
4.95 |
-9.32 |
-0.6 |
0 |
|
|
135008 |
51796215 |
1 |
ClN3O6C25H28 |
AB3C6D25E28 |
-248.93 |
7.67 |
-9.64 |
-0.61 |
0 |
|
|
135009 |
51796292 |
1 |
ClN3O4C23H26 |
AB3C4D23E26 |
-140.3 |
6.38 |
-9.55 |
-0.8 |
0 |
|
|
135010 |
51796332 |
1 |
ClN3O3C24H34 |
AB3C3D24E34 |
-142.5 |
11.51 |
-9.57 |
-0.19 |
0 |
|
|
135011 |
51796859 |
1 |
ClN2O3C21H31 |
AB2C3D21E31 |
-138.59 |
5.88 |
-9.08 |
-0.1 |
0 |