List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
332931 |
127251355 |
2 |
ON3C10H10 |
AB3C10D10 |
22.2 |
2.34 |
-9.14 |
-0.54 |
0 |
|
|
332932 |
127251356 |
1 |
O2N5C21H21 |
A2B5C21D21 |
7.87 |
5.6 |
-8.75 |
-0.79 |
0 |
|
|
332933 |
127251357 |
1 |
SO3N5C18H23 |
AB3C5D18E23 |
-53.32 |
5.2 |
-9.55 |
-1.06 |
0 |
|
|
332934 |
127251358 |
1 |
SO3N5C16H21 |
AB3C5D16E21 |
-47.93 |
5.71 |
-9.61 |
-0.93 |
0 |
|
|
332935 |
127251359 |
1 |
SO3N5C18H25 |
AB3C5D18E25 |
-64.55 |
4.93 |
-9.45 |
-1.03 |
0 |
|
|
332936 |
127251360 |
1 |
SO2N6C21H26 |
AB2C6D21E26 |
9.04 |
6.96 |
-8.7 |
-0.24 |
0 |
|
|
332937 |
127251361 |
1 |
FO3N4C25H25 |
AB3C4D25E25 |
-96.03 |
3.06 |
-9.42 |
-1.12 |
0 |
|
|
332938 |
127251362 |
1 |
O3N5C23H29 |
A3B5C23D29 |
-73.64 |
2.38 |
-9.36 |
-0.99 |
0 |
|
|
332939 |
127251363 |
1 |
O3N6C24H28 |
A3B6C24D28 |
-38.75 |
3.1 |
-9.53 |
-1.1 |
0 |
|
|
332940 |
127251364 |
1 |
O3N6C24H26 |
A3B6C24D26 |
-24.78 |
3.44 |
-9.33 |
-0.8 |
0 |
|
|
332941 |
127251365 |
1 |
SO2N6C18H18 |
AB2C6D18E18 |
41.34 |
5.56 |
-9.81 |
-1.28 |
0 |
|
|
332942 |
127251366 |
1 |
SO3N6C21H22 |
AB3C6D21E22 |
-15.26 |
2.93 |
-9.74 |
-1.31 |
0 |
|
|
332943 |
127251367 |
1 |
SO3N5C22H23 |
AB3C5D22E23 |
-36.06 |
3.02 |
-9.55 |
-1.2 |
0 |
|
|
332944 |
127251368 |
1 |
O2N6C23H32 |
A2B6C23D32 |
-41.6 |
3.81 |
-8.71 |
-0.66 |
0 |
|
|
332945 |
127251369 |
1 |
O3N6C24H28 |
A3B6C24D28 |
-47.19 |
5.0 |
-9.11 |
-1.14 |
0 |
|
|
332946 |
127251370 |
1 |
O4N5C21H25 |
A4B5C21D25 |
-123.45 |
3.07 |
-9.5 |
-1.16 |
0 |
|
|
332947 |
127251371 |
1 |
O2N6C25H26 |
A2B6C25D26 |
19.63 |
6.04 |
-8.29 |
-0.8 |
0 |
|
|
332948 |
127251372 |
1 |
SO2N6C20H22 |
AB2C6D20E22 |
3.13 |
3.8 |
-9.17 |
-0.66 |
0 |
|
|
332949 |
127251373 |
2 |
ON3C9H12 |
AB3C9D12 |
-18.76 |
4.01 |
-9.12 |
-0.66 |
0 |
|
|
332950 |
127251374 |
1 |
O3N6C24H26 |
A3B6C24D26 |
-26.6 |
3.48 |
-8.57 |
-0.3 |
0 |
|
|
332951 |
127251375 |
1 |
O3N6C22H24 |
A3B6C22D24 |
-45.86 |
4.74 |
-9.44 |
-1.08 |
0 |
|
|
332952 |
127251376 |
1 |
O3N6C22H26 |
A3B6C22D26 |
-50.56 |
7.06 |
-9.24 |
-0.41 |
0 |
|
|
332953 |
127251377 |
1 |
O3N6C23H26 |
A3B6C23D26 |
-52.32 |
6.22 |
-9.22 |
-1.06 |
0 |
|
|
332954 |
127251378 |
1 |
O3N6C23H28 |
A3B6C23D28 |
-57.07 |
7.83 |
-9.01 |
-0.48 |
0 |
|
|
332955 |
127251379 |
1 |
O3N6C21H22 |
A3B6C21D22 |
-35.78 |
3.5 |
-9.16 |
-0.7 |
0 |
|
|
332956 |
127251380 |
1 |
O3N6C24H26 |
A3B6C24D26 |
-41.01 |
3.11 |
-9.48 |
-1.11 |
0 |
|
|
332957 |
127251381 |
1 |
O2N6C25H30 |
A2B6C25D30 |
-15.29 |
6.66 |
-8.67 |
-0.28 |
0 |
|
|
332958 |
127251382 |
1 |
O2N5C26H33 |
A2B5C26D33 |
-9.39 |
6.48 |
-8.85 |
-0.28 |
0 |
|
|
332959 |
127251383 |
1 |
O4N5C22H27 |
A4B5C22D27 |
-105.29 |
5.14 |
-9.33 |
-1.15 |
0 |
|
|
332960 |
127251384 |
1 |
SN4O4C22H24 |
AB4C4D22E24 |
-72.94 |
7.38 |
-9.18 |
-0.96 |
0 |
|
|
332961 |
127251385 |
1 |
FO3N4C22H23 |
AB3C4D22E23 |
-77.31 |
5.95 |
-9.1 |
-0.3 |
0 |
|
|
332962 |
127251386 |
1 |
FO3N4C23H23 |
AB3C4D23E23 |
-88.09 |
5.6 |
-9.0 |
-0.44 |
0 |
|
|
332963 |
127251387 |
1 |
O2N5C24H33 |
A2B5C24D33 |
-32.5 |
3.67 |
-8.68 |
-0.86 |
0 |
|
|
332964 |
127251388 |
2 |
ON3C12H17 |
AB3C12D17 |
-37.15 |
3.21 |
-8.59 |
-0.6 |
0 |
|
|
332965 |
127251389 |
1 |
O3N4C25H30 |
A3B4C25D30 |
-54.2 |
7.07 |
-8.81 |
-0.29 |
0 |
|
|
332966 |
127251390 |
1 |
O3N5C25H29 |
A3B5C25D29 |
-54.06 |
4.04 |
-8.86 |
-0.7 |
0 |
|
|
332967 |
127251391 |
1 |
O3N4C24H28 |
A3B4C24D28 |
-44.53 |
3.52 |
-9.14 |
-0.23 |
0 |
|
|
332968 |
127251392 |
1 |
ClO2N4C23H23 |
AB2C4D23E23 |
-10.64 |
2.2 |
-9.34 |
-1.1 |
0 |
|
|
332969 |
127251393 |
1 |
ClO2N4C23H25 |
AB2C4D23E25 |
-15.51 |
4.63 |
-9.12 |
-0.27 |
0 |
|
|
332970 |
127251394 |
1 |
ClO2N5C23H24 |
AB2C5D23E24 |
-14.31 |
4.52 |
-9.26 |
-0.7 |
0 |
|
|
332971 |
127251395 |
1 |
ClO2N4C24H25 |
AB2C4D24E25 |
-25.87 |
5.51 |
-8.93 |
-0.48 |
0 |
|
|
332972 |
127251396 |
1 |
FO3N5C23H24 |
AB3C5D23E24 |
-85.72 |
4.62 |
-9.18 |
-0.79 |
0 |
|
|
332973 |
127251397 |
1 |
O2N5C25H35 |
A2B5C25D35 |
-56.21 |
3.73 |
-8.76 |
-1.08 |
0 |
|
|
332974 |
127251398 |
1 |
O3N5C23H25 |
A3B5C23D25 |
-37.73 |
3.39 |
-9.2 |
-0.65 |
0 |
|
|
332975 |
127251399 |
1 |
O2N6C25H26 |
A2B6C25D26 |
33.29 |
2.94 |
-9.04 |
-0.99 |
0 |
|
|
332976 |
127251400 |
1 |
O2N5C25H37 |
A2B5C25D37 |
-49.97 |
7.62 |
-8.74 |
0.13 |
0 |
|
|
332977 |
127251401 |
1 |
SO3N6C21H26 |
AB3C6D21E26 |
-32.52 |
7.79 |
-9.31 |
-0.96 |
0 |
|
|
332978 |
127251402 |
1 |
FO2N4C24H27 |
AB2C4D24E27 |
-53.65 |
5.06 |
-9.02 |
-0.31 |
0 |
|
|
332979 |
127251403 |
1 |
O4N5C24H27 |
A4B5C24D27 |
-88.23 |
1.19 |
-9.41 |
-1.07 |
0 |
|
|
332980 |
127251404 |
1 |
O3N6C22H26 |
A3B6C22D26 |
-31.45 |
5.32 |
-9.39 |
-1.0 |
0 |