List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
268600 |
103600163 |
1 |
NO3C15H15 |
AB3C15D15 |
-88.63 |
3.7 |
-9.2 |
-0.36 |
0 |
|
|
268601 |
103600164 |
1 |
INO2H14C15 |
ABC2D14E15 |
-23.87 |
3.84 |
-9.05 |
-0.92 |
0 |
|
|
268602 |
103600167 |
1 |
INO2C11H12 |
ABC2D11E12 |
-55.32 |
4.39 |
-9.07 |
-0.95 |
0 |
|
|
268603 |
103600169 |
1 |
INO3C12H14 |
ABC3D12E14 |
-103.12 |
5.03 |
-9.21 |
-1.07 |
0 |
|
|
268604 |
103600180 |
1 |
SO2N5C11H15 |
AB2C5D11E15 |
-19.76 |
4.34 |
-9.65 |
-1.2 |
0 |
|
|
268605 |
103600183 |
1 |
BrClINOH12C15 |
ABCDEF12G15 |
9.61 |
4.27 |
-9.51 |
-1.42 |
0 |
|
|
268606 |
103600187 |
1 |
INOBr2H12C15 |
ABCD2E12F15 |
21.59 |
4.36 |
-9.58 |
-1.43 |
0 |
|
|
268607 |
103600193 |
1 |
INO3C9H10 |
ABC3D9E10 |
-58.94 |
3.08 |
-9.18 |
-0.99 |
0 |
|
|
268608 |
103600195 |
1 |
O2N7H9C12 |
A2B7C9D12 |
68.14 |
1.22 |
-9.26 |
-1.45 |
0 |
|
|
268609 |
103600196 |
1 |
BrINOC17H17 |
ABCDE17F17 |
5.72 |
3.95 |
-9.28 |
-1.32 |
0 |
|
|
268610 |
103600197 |
1 |
BrINOCl2H11C15 |
ABCDE2F11G15 |
2.53 |
3.2 |
-9.51 |
-1.48 |
0 |
|
|
268611 |
103600200 |
1 |
INO2C16H16 |
ABC2D16E16 |
-44.63 |
3.15 |
-9.14 |
-0.99 |
0 |
|
|
268612 |
103600201 |
1 |
INOBr2H12C15 |
ABCD2E12F15 |
13.84 |
3.68 |
-9.28 |
-1.5 |
0 |
|
|
268613 |
103600210 |
1 |
ClN3O3H10C12 |
AB3C3D10E12 |
-99.09 |
7.48 |
-8.86 |
-1.08 |
0 |
|
|
268614 |
103600211 |
1 |
BrINOF3H8C14 |
ABCDE3F8G14 |
-131.37 |
1.48 |
-9.52 |
-1.57 |
0 |
|
|
268615 |
103600222 |
1 |
INO2H14C15 |
ABC2D14E15 |
-38.61 |
4.21 |
-9.15 |
-1.0 |
0 |
|
|
268616 |
103600224 |
1 |
FINO2H13C15 |
ABCD2E13F15 |
-81.97 |
3.81 |
-9.14 |
-0.98 |
0 |
|
|
268617 |
103600225 |
1 |
BrINOC17H17 |
ABCDE17F17 |
1.25 |
3.95 |
-9.09 |
-1.36 |
0 |
|
|
268618 |
103600226 |
1 |
FNO3H14C15 |
ABC3D14E15 |
-148.73 |
1.54 |
-9.38 |
-0.56 |
0 |
|
|
268619 |
103600229 |
1 |
ClO2N4C13H13 |
AB2C4D13E13 |
-18.79 |
4.71 |
-9.09 |
-1.19 |
0 |
|
|
268620 |
103600230 |
1 |
INOBr2H14C16 |
ABCD2E14F16 |
16.92 |
4.51 |
-9.55 |
-1.46 |
0 |
|
|
268621 |
103600232 |
1 |
BrINOH15C16 |
ABCDE15F16 |
9.93 |
2.8 |
-8.88 |
-1.46 |
0 |
|
|
268622 |
103600235 |
1 |
INO2C16H20 |
ABC2D16E20 |
-74.2 |
4.28 |
-9.09 |
-0.95 |
0 |
|
|
268623 |
103600241 |
1 |
ClO2F3N3H7C12 |
AB2C3D3E7F12 |
-183.59 |
2.67 |
-9.69 |
-1.69 |
0 |
|
|
268624 |
103600244 |
1 |
NSO3C13H13 |
ABC3D13E13 |
-95.89 |
2.66 |
-9.31 |
-0.53 |
0 |
|
|
268625 |
103600245 |
1 |
ClNO3C16H16 |
ABC3D16E16 |
-94.0 |
3.89 |
-8.96 |
-0.68 |
0 |
|
|
268626 |
103600246 |
1 |
NO4C16H17 |
AB4C16D17 |
-133.83 |
4.93 |
-8.98 |
-0.21 |
0 |
|
|
268627 |
103600248 |
1 |
NO2C13H17 |
AB2C13D17 |
-60.32 |
4.32 |
-8.72 |
0.23 |
0 |
|
|
268628 |
103600249 |
1 |
NO3C16H17 |
AB3C16D17 |
-104.0 |
2.93 |
-9.28 |
-0.47 |
0 |
|
|
268629 |
103600251 |
1 |
INO2C16H16 |
ABC2D16E16 |
-39.35 |
3.3 |
-9.15 |
-1.0 |
0 |
|
|
268630 |
103600255 |
1 |
SO2N4H6C10 |
AB2C4D6E10 |
29.19 |
5.05 |
-9.67 |
-1.58 |
0 |
|
|
268631 |
103600256 |
1 |
SO3N4H8C10 |
AB3C4D8E10 |
-57.53 |
2.58 |
-9.1 |
-1.53 |
0 |
|
|
268632 |
103600258 |
1 |
BrINOSC10H11 |
ABCDEF10G11 |
-1.21 |
4.11 |
-8.89 |
-1.34 |
0 |
|
|
268633 |
103600261 |
1 |
BrIN2O2C15H18 |
ABC2D2E15F18 |
-50.05 |
6.04 |
-9.37 |
-1.31 |
0 |
|
|
268634 |
103600265 |
1 |
NSO3C13H13 |
ABC3D13E13 |
-88.14 |
2.84 |
-9.17 |
-0.47 |
0 |
|
|
268635 |
103600272 |
1 |
NO3C17H17 |
AB3C17D17 |
-108.02 |
2.94 |
-9.28 |
-0.54 |
0 |
|
|
268636 |
103600273 |
1 |
BrNO2H16C17 |
ABC2D16E17 |
-57.24 |
2.86 |
-9.29 |
-0.89 |
0 |
|
|
268637 |
103600275 |
1 |
N4O4H8C13 |
A4B4C8D13 |
-74.89 |
7.29 |
-9.45 |
-1.49 |
0 |
|
|
268638 |
103600280 |
1 |
INO2C12H16 |
ABC2D12E16 |
-78.99 |
3.59 |
-9.14 |
-1.0 |
0 |
|
|
268639 |
103600281 |
1 |
ClO2N4H7C12 |
AB2C4D7E12 |
10.8 |
5.37 |
-9.69 |
-1.73 |
0 |
|
|
268640 |
103600282 |
1 |
O2N3C15H17 |
A2B3C15D17 |
-22.79 |
4.2 |
-9.17 |
-1.17 |
0 |
|
|
268641 |
103600283 |
1 |
BrINOC17H17 |
ABCDE17F17 |
16.28 |
4.24 |
-8.93 |
-1.4 |
0 |
|
|
268642 |
103600289 |
1 |
NOSBr2H3F4C11 |
ABCD2E3F4G11 |
-146.23 |
3.08 |
-9.85 |
-1.68 |
0 |
|
|
268643 |
103600290 |
1 |
BrNOF5H5C13 |
ABCD5E5F13 |
-208.97 |
3.92 |
-9.82 |
-1.26 |
0 |
|
|
268644 |
103600292 |
1 |
O2N3F4H7C11 |
A2B3C4D7E11 |
-207.45 |
1.13 |
-9.85 |
-1.33 |
0 |
|
|
268645 |
103600296 |
1 |
BrNOF4H6C13 |
ABCD4E6F13 |
-163.22 |
2.92 |
-9.8 |
-1.23 |
0 |
|
|
268646 |
103600308 |
1 |
BrNO2F4H4C11 |
ABC2D4E4F11 |
-186.76 |
3.44 |
-9.78 |
-1.32 |
0 |
|
|
268647 |
103600312 |
1 |
NOSF4H5C11 |
ABCD4E5F11 |
-159.0 |
4.42 |
-9.56 |
-1.39 |
0 |
|
|
268648 |
103600313 |
1 |
BrClNOF4H5C13 |
ABCDE4F5G13 |
-170.84 |
3.92 |
-9.78 |
-1.36 |
0 |
|
|
268649 |
103600314 |
1 |
OCl2N2F4H4C12 |
AB2C2D4E4F12 |
-165.33 |
3.03 |
-9.95 |
-1.72 |
0 |
|
|
268650 |
103600319 |
1 |
BrF2O2N3H6C11 |
AB2C2D3E6F11 |
-102.28 |
2.04 |
-9.59 |
-1.44 |
0 |
|
|
268651 |
103600321 |
1 |
BrNOI2H10C14 |
ABCD2E10F14 |
37.27 |
4.75 |
-8.92 |
-1.53 |
0 |
|
|
268652 |
103600322 |
1 |
INO2C11H14 |
ABC2D11E14 |
-70.23 |
3.29 |
-9.17 |
-1.02 |
0 |
|
|
268653 |
103600323 |
1 |
NO4C16H17 |
AB4C16D17 |
-129.0 |
4.32 |
-8.94 |
-0.42 |
0 |
|
|
268654 |
103600335 |
1 |
IN2O3C14H19 |
AB2C3D14E19 |
-99.83 |
1.85 |
-8.93 |
-1.03 |
0 |
|
|
268655 |
103600346 |
1 |
INO3C16H16 |
ABC3D16E16 |
-65.65 |
4.59 |
-9.09 |
-0.92 |
0 |
|
|
268656 |
103600355 |
1 |
IO2N3C15H18 |
AB2C3D15E18 |
-33.42 |
1.78 |
-9.19 |
-1.04 |
0 |
|
|
268657 |
103600356 |
1 |
BrINO2H15C16 |
ABCD2E15F16 |
-13.1 |
5.48 |
-8.96 |
-1.23 |
0 |
|
|
268658 |
103600357 |
1 |
NO4C16H17 |
AB4C16D17 |
-129.24 |
5.1 |
-9.05 |
-0.3 |
0 |
|
|
268659 |
103600359 |
1 |
BrINOC17H17 |
ABCDE17F17 |
13.97 |
4.15 |
-9.19 |
-1.3 |
0 |
|
|
268660 |
103600360 |
1 |
BrINOC17H17 |
ABCDE17F17 |
5.87 |
3.48 |
-8.71 |
-1.45 |
0 |
|
|
268661 |
103600361 |
1 |
INO2C10H10 |
ABC2D10E10 |
-37.49 |
3.11 |
-9.21 |
-1.05 |
0 |
|
|
268662 |
103600366 |
1 |
NO4C16H17 |
AB4C16D17 |
-132.59 |
3.53 |
-8.82 |
-0.36 |
0 |
|
|
268663 |
103600367 |
1 |
NO3C17H19 |
AB3C17D19 |
-112.87 |
3.13 |
-9.32 |
-0.51 |
0 |
|
|
268664 |
103600369 |
1 |
INO2C17H18 |
ABC2D17E18 |
-47.93 |
3.29 |
-9.18 |
-1.03 |
0 |
|
|
268665 |
103600371 |
1 |
FNO3H14C15 |
ABC3D14E15 |
-136.98 |
2.02 |
-9.29 |
-0.46 |
0 |
|
|
268666 |
103600380 |
1 |
NO3C16H17 |
AB3C16D17 |
-98.74 |
4.28 |
-9.15 |
-0.33 |
0 |
|
|
268667 |
103600381 |
1 |
INO2C16H16 |
ABC2D16E16 |
-35.36 |
3.96 |
-9.11 |
-0.97 |
0 |
|
|
268668 |
103600383 |
1 |
BrNO2C15H22 |
ABC2D15E22 |
-108.3 |
3.6 |
-9.22 |
-0.82 |
0 |
|
|
268669 |
103600390 |
1 |
ClNO3H12C14 |
ABC3D12E14 |
-103.32 |
2.24 |
-9.42 |
-0.61 |
0 |
|
|
268670 |
103600394 |
1 |
INO2C11H14 |
ABC2D11E14 |
-72.07 |
3.61 |
-9.16 |
-1.01 |
0 |
|
|
268671 |
103600395 |
1 |
IN2O3C13H15 |
AB2C3D13E15 |
-103.14 |
5.81 |
-9.06 |
-0.95 |
0 |
|
|
268672 |
103600408 |
1 |
ClN2O3C15H15 |
AB2C3D15E15 |
-17.89 |
8.04 |
-8.81 |
-1.11 |
0 |
|
|
268673 |
103600409 |
1 |
N3O3C14H15 |
A3B3C14D15 |
11.52 |
11.66 |
-9.05 |
-0.99 |
0 |
|
|
268674 |
103600410 |
1 |
ON2C14H16 |
AB2C14D16 |
13.35 |
1.33 |
-8.46 |
0.22 |
0 |