List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
329209 |
126731995 |
1 |
ON3C7H9 |
AB3C7D9 |
41.33 |
5.61 |
-8.72 |
-0.98 |
0 |
|
|
329210 |
126731997 |
1 |
NO4C11H19 |
AB4C11D19 |
-202.73 |
2.8 |
-9.8 |
0.16 |
0 |
|
|
329211 |
126732010 |
1 |
ClN7O8C47H54 |
AB7C8D47E54 |
-278.46 |
12.01 |
-9.04 |
-0.49 |
0 |
|
|
329212 |
126732013 |
1 |
ClO3N5C33H42 |
AB3C5D33E42 |
-74.52 |
8.29 |
-8.51 |
-0.58 |
0 |
|
|
329213 |
126732103 |
1 |
F3O4N6C26H27 |
A3B4C6D26E27 |
-217.11 |
9.44 |
-8.67 |
-1.64 |
0 |
|
|
329214 |
126732172 |
1 |
N6O8C39H60 |
A6B8C39D60 |
-383.7 |
7.33 |
-9.28 |
-0.7 |
0 |
|
|
329215 |
126732180 |
1 |
IN4O4C23H33 |
AB4C4D23E33 |
-150.24 |
3.47 |
-8.57 |
-1.26 |
0 |
|
|
329216 |
126732229 |
1 |
N6O9C45H62 |
A6B9C45D62 |
-366.73 |
8.37 |
-9.02 |
-0.42 |
0 |
|
|
329217 |
126732231 |
2 |
NOC2H6 |
ABC2D6 |
-94.32 |
2.62 |
-9.62 |
1.47 |
0 |
|
|
329218 |
126732247 |
1 |
SN2O5C10H22 |
AB2C5D10E22 |
-255.23 |
4.08 |
-9.85 |
0.2 |
0 |
|
|
329219 |
126732413 |
1 |
ClN6O14C61H75 |
AB6C14D61E75 |
-494.52 |
6.94 |
-8.2 |
-0.85 |
0 |
|
|
329220 |
126732427 |
1 |
ClN8O12C55H69 |
AB8C12D55E69 |
-377.45 |
8.28 |
-8.71 |
-1.11 |
0 |
|
|
329221 |
126732441 |
1 |
OPC4H7 |
ABC4D7 |
-15.46 |
0.89 |
-9.34 |
0.32 |
0 |
|
|
329222 |
126732547 |
1 |
BrS2N3O3C20H22 |
AB2C3D3E20F22 |
-44.82 |
4.96 |
-8.82 |
-0.77 |
0 |
|
|
329223 |
126732554 |
1 |
SO2C19H38 |
AB2C19D38 |
-173.2 |
2.99 |
-8.93 |
0.58 |
0 |
|
|
329225 |
126732616 |
1 |
ClSN2O5C34H43 |
ABC2D5E34F43 |
-155.45 |
5.31 |
-8.68 |
-0.74 |
0 |
|
|
329226 |
126732624 |
1 |
SO2H3C5F9 |
AB2C3D5E9 |
-532.73 |
3.26 |
-12.66 |
-1.48 |
0 |
|
|
329227 |
126732639 |
1 |
ON4C22H44 |
AB4C22D44 |
-64.91 |
1.42 |
-8.13 |
2.06 |
0 |
|
|
329228 |
126732675 |
1 |
OI2N2H12C16 |
AB2C2D12E16 |
68.48 |
2.14 |
-8.35 |
-1.44 |
0 |
|
|
329229 |
126732714 |
1 |
ON2Br3H11C16 |
AB2C3D11E16 |
39.47 |
2.11 |
-8.56 |
-1.3 |
0 |
|
|
329230 |
126732731 |
1 |
NO2C10H13 |
AB2C10D13 |
-36.96 |
3.6 |
-8.75 |
0.2 |
0 |
|
|
329231 |
126732753 |
1 |
IN2C3H5 |
AB2C3D5 |
51.85 |
3.58 |
-8.77 |
-1.99 |
0 |
|
|
329232 |
126732824 |
2 |
NOC4H6 |
ABC4D6 |
-68.02 |
6.76 |
-8.88 |
-0.34 |
0 |
|
|
329233 |
126732828 |
3 |
NOC8H9 |
ABC8D9 |
-98.44 |
6.51 |
-8.29 |
-0.7 |
0 |
|
|
329234 |
126732829 |
1 |
NSO5C13H23 |
ABC5D13E23 |
-256.36 |
3.53 |
-9.62 |
0.11 |
0 |
|
|
329235 |
126732832 |
1 |
ClO2C21H23 |
AB2C21D23 |
-72.69 |
5.44 |
-9.26 |
-0.92 |
0 |
|
|
329236 |
126732856 |
1 |
FNCl2O3C31H32 |
ABC2D3E31F32 |
-101.68 |
5.48 |
-9.41 |
-0.63 |
0 |
|
|
329237 |
126732861 |
1 |
ClNO2F3C14H15 |
ABC2D3E14F15 |
-152.01 |
4.27 |
-9.18 |
-0.58 |
0 |
|
|
329238 |
126732887 |
1 |
FSN2O4C24H31 |
ABC2D4E24F31 |
-167.4 |
1.84 |
-8.84 |
-0.12 |
0 |
|
|
329239 |
126732893 |
1 |
O5C17H26 |
A5B17C26 |
-229.28 |
4.02 |
-9.39 |
-0.5 |
0 |
|
|
329240 |
126732914 |
1 |
ClO4C18H27 |
AB4C18D27 |
-200.31 |
4.3 |
-9.28 |
-0.71 |
0 |
|
|
329241 |
126732935 |
1 |
FNSO4C11H14 |
ABCD4E11F14 |
-215.95 |
5.05 |
-9.75 |
-0.75 |
0 |
|
|
329244 |
126733016 |
1 |
N3O5C35H45 |
A3B5C35D45 |
-149.28 |
8.36 |
-9.92 |
-1.03 |
0 |
|
|
329246 |
126733033 |
1 |
NOC11H19 |
ABC11D19 |
-20.73 |
1.34 |
-8.7 |
0.72 |
0 |
|
|
329249 |
126733057 |
4 |
OC5H6 |
AB5C6 |
-139.37 |
8.86 |
-8.97 |
-0.76 |
0 |
|
|
329252 |
126733094 |
1 |
N2O4C33H46 |
A2B4C33D46 |
-174.79 |
11.43 |
-9.79 |
-1.2 |
0 |
|
|
329253 |
126733138 |
1 |
O7H20C23 |
A7B20C23 |
-236.41 |
11.71 |
-9.09 |
-1.22 |
0 |
|
|
329256 |
126733320 |
1 |
N2O4C29H38 |
A2B4C29D38 |
-135.27 |
6.51 |
-9.6 |
-1.36 |
0 |
|
|
329257 |
126733326 |
1 |
NO6C34H47 |
AB6C34D47 |
-202.76 |
9.79 |
-9.56 |
-1.46 |
0 |
|
|
329258 |
126733414 |
1 |
SF4N6H14C15 |
AB4C6D14E15 |
-94.72 |
0.5 |
-9.03 |
-1.01 |
0 |
|
|
329259 |
126733447 |
1 |
SF2N6C17H20 |
AB2C6D17E20 |
-13.28 |
2.37 |
-8.84 |
-0.92 |
0 |
|
|
329260 |
126733452 |
1 |
F2N5C19H23 |
A2B5C19D23 |
-35.79 |
6.14 |
-8.86 |
-0.84 |
0 |
|
|
329261 |
126733453 |
1 |
ClFO2N3C15H29 |
ABC2D3E15F29 |
-166.85 |
2.32 |
-8.88 |
-0.14 |
0 |
|
|
329262 |
126733454 |
1 |
ClFN3C12H19 |
ABC3D12E19 |
-31.43 |
6.89 |
-8.77 |
-0.48 |
0 |
|
|
329263 |
126733468 |
1 |
NC24H51 |
AB24C51 |
-106.47 |
1.3 |
-8.06 |
2.9 |
0 |
|
|
329264 |
126733476 |
1 |
SF2N6C16H18 |
AB2C6D16E18 |
-3.74 |
2.3 |
-8.88 |
-0.94 |
0 |
|
|
329265 |
126733504 |
1 |
SF2N6C16H16 |
AB2C6D16E16 |
29.09 |
1.91 |
-8.92 |
-0.97 |
0 |
|
|
329266 |
126733512 |
1 |
ClO2N3C18H26 |
AB2C3D18E26 |
-77.85 |
5.71 |
-9.15 |
-0.42 |
0 |
|
|
329267 |
126733515 |
1 |
ClFO2N6H12C14 |
ABC2D6E12F14 |
-21.58 |
8.48 |
-9.25 |
-1.57 |
0 |
|
|
329268 |
126733517 |
1 |
ISN4H19C21 |
ABC4D19E21 |
106.26 |
6.42 |
-9.09 |
-2.79 |
0 |
|
|
329269 |
126733548 |
2 |
N2H8C9 |
A2B8C9 |
105.84 |
7.45 |
-8.12 |
-0.51 |
0 |
|
|
329270 |
126733552 |
1 |
INSBr2H10C13 |
ABCD2E10F13 |
84.8 |
1.88 |
-8.92 |
-2.55 |
0 |
|
|
329271 |
126733746 |
1 |
ON2C11H24 |
AB2C11D24 |
-69.51 |
2.54 |
-8.61 |
2.25 |
0 |
|
|
329272 |
126733751 |
1 |
FSN2O2C14H19 |
ABC2D2E14F19 |
-111.02 |
2.86 |
-9.44 |
0.08 |
0 |
|
|
329273 |
126733835 |
3 |
NH9C12 |
AB9C12 |
187.18 |
3.04 |
-8.93 |
-0.88 |
0 |
|
|
329274 |
126733849 |
1 |
BrSN2O3F5H12C15 |
ABC2D3E5F12G15 |
-304.39 |
4.17 |
-10.28 |
-1.22 |
0 |
|
|
329276 |
126733852 |
1 |
N2H20C21 |
A2B20C21 |
118.81 |
3.92 |
-8.46 |
-0.32 |
0 |
|
|
329277 |
126733856 |
1 |
BrSN2O3F5H14C15 |
ABC2D3E5F14G15 |
-320.25 |
7.74 |
-9.97 |
-0.83 |
0 |
|
|
329278 |
126733872 |
2 |
FON3C10H10 |
ABC3D10E10 |
-72.34 |
5.62 |
-8.88 |
-1.25 |
0 |
|
|
329279 |
126733883 |
1 |
BrFSN2O5C18H24 |
ABCD2E5F18G24 |
-242.62 |
3.08 |
-10.01 |
-0.89 |
0 |
|
|
329280 |
126733890 |
1 |
O2F3N6H19C20 |
A2B3C6D19E20 |
-121.48 |
3.95 |
-9.06 |
-1.31 |
0 |
|
|
329281 |
126733891 |
1 |
O2F3N6H19C20 |
A2B3C6D19E20 |
-121.43 |
6.11 |
-8.98 |
-1.26 |
0 |
|
|
329283 |
126733990 |
1 |
N4O6C47H74 |
A4B6C47D74 |
-357.3 |
5.27 |
-8.82 |
-0.14 |
0 |
|
|
329284 |
126733994 |
1 |
N7O8C29H35 |
A7B8C29D35 |
-277.93 |
5.34 |
-9.5 |
-1.32 |
0 |
|
|
329285 |
126733996 |
1 |
N7O8C29H35 |
A7B8C29D35 |
-273.6 |
8.53 |
-9.7 |
-1.34 |
0 |
|
|
329286 |
126734020 |
1 |
SN2F3O4C18H21 |
AB2C3D4E18F21 |
-274.97 |
3.32 |
-10.0 |
-1.27 |
0 |
|
|
329287 |
126734066 |
1 |
N5O5C20H23 |
A5B5C20D23 |
-100.8 |
2.95 |
-9.1 |
-0.69 |
0 |
|
|
329288 |
126734098 |
1 |
O26C81H84 |
A26B81C84 |
-966.74 |
4.9 |
-9.61 |
-0.78 |
0 |
|
|
329289 |
126734099 |
1 |
O24C85H86 |
A24B85C86 |
-816.35 |
2.79 |
-9.65 |
-0.7 |
0 |
|
|
329290 |
126734103 |
1 |
F3O5N8C32H41 |
A3B5C8D32E41 |
-310.08 |
8.12 |
-9.19 |
-1.53 |
0 |
|
|
329291 |
126734112 |
1 |
SN4C5H10 |
AB4C5D10 |
61.46 |
4.56 |
-9.26 |
-0.27 |
0 |
|
|
329292 |
126734119 |
1 |
SN4O9C35H46 |
AB4C9D35E46 |
-313.04 |
10.33 |
-8.55 |
-1.23 |
0 |
|
|
329293 |
126734148 |
1 |
SN4O9C34H48 |
AB4C9D34E48 |
-377.85 |
10.15 |
-9.06 |
-0.41 |
0 |
|
|
329294 |
126734268 |
1 |
SN3O7C30H41 |
AB3C7D30E41 |
-284.03 |
4.23 |
-9.42 |
-0.53 |
0 |
|
|
329295 |
126734307 |
1 |
FS2N4O7C34H41 |
AB2C4D7E34F41 |
-259.93 |
5.38 |
-9.17 |
-1.17 |
0 |
|
|
329296 |
126734311 |
1 |
SN3O7C34H47 |
AB3C7D34E47 |
-264.23 |
7.28 |
-9.26 |
-0.35 |
0 |
|
|
329297 |
126734322 |
1 |
SN4O8C31H42 |
AB4C8D31E42 |
-268.83 |
3.81 |
-8.87 |
-1.32 |
0 |
|
|
329298 |
126734348 |
1 |
NO3C7H11 |
AB3C7D11 |
-125.15 |
4.39 |
-9.92 |
-0.56 |
0 |
|
|
329299 |
126734384 |
1 |
SN4O7C30H40 |
AB4C7D30E40 |
-253.03 |
10.47 |
-8.95 |
-0.48 |
0 |
|
|
329300 |
126734391 |
2 |
N3H17C27 |
A3B17C27 |
316.99 |
7.87 |
-8.35 |
-1.04 |
0 |
|
|
329301 |
126734392 |
2 |
N4H18C31 |
A4B18C31 |
412.09 |
5.06 |
-8.05 |
-1.75 |
0 |
|
|
329302 |
126734403 |
1 |
N8H42C73 |
A8B42C73 |
437.4 |
3.32 |
-8.05 |
-1.69 |
0 |
|
|
329303 |
126734404 |
1 |
N8H42C73 |
A8B42C73 |
438.77 |
2.58 |
-8.1 |
-1.64 |
0 |
|
|
329304 |
126734432 |
1 |
N7H43C66 |
A7B43C66 |
381.03 |
4.3 |
-7.66 |
-1.25 |
0 |
|
|
329305 |
126734450 |
1 |
ClSO2N4C13H19 |
ABC2D4E13F19 |
-56.74 |
3.51 |
-8.57 |
-0.78 |
0 |
|
|
329306 |
126734463 |
1 |
N7H35C61 |
A7B35C61 |
376.96 |
3.49 |
-8.08 |
-1.46 |
0 |
|
|
329307 |
126734470 |
1 |
N7H35C61 |
A7B35C61 |
378.29 |
4.76 |
-8.08 |
-1.54 |
0 |
|
|
329308 |
126734473 |
1 |
NOC8H15 |
ABC8D15 |
-70.17 |
4.47 |
-9.23 |
1.36 |
0 |
|
|
329309 |
126734478 |
1 |
OS2N6C18H26 |
AB2C6D18E26 |
12.79 |
0.94 |
-8.03 |
-0.27 |
0 |
|
|
329310 |
126734479 |
1 |
ClOSN7C19H26 |
ABCD7E19F26 |
22.44 |
2.79 |
-8.01 |
-0.76 |
0 |
|
|
329311 |
126734480 |
1 |
SO2N6C20H28 |
AB2C6D20E28 |
-53.63 |
6.64 |
-8.17 |
-0.3 |
0 |
|
|
329312 |
126734481 |
1 |
N7H37C61 |
A7B37C61 |
381.0 |
6.63 |
-7.82 |
-1.25 |
0 |
|
|
329313 |
126734514 |
1 |
NC26H31 |
AB26C31 |
108.79 |
2.46 |
-8.09 |
-0.18 |
0 |
|
|
329314 |
126734527 |
1 |
N9H41C74 |
A9B41C74 |
475.25 |
0.93 |
-8.2 |
-1.63 |
0 |
|
|
329315 |
126734551 |
1 |
N9H37C68 |
A9B37C68 |
453.66 |
3.37 |
-8.12 |
-1.88 |
0 |
|
|
329316 |
126734555 |
1 |
N6H36C59 |
A6B36C59 |
329.63 |
4.48 |
-8.06 |
-1.56 |
0 |
|
|
329317 |
126734584 |
1 |
N6H44C71 |
A6B44C71 |
373.01 |
6.98 |
-7.99 |
-1.26 |
0 |
|
|
329318 |
126734608 |
1 |
N8H46C73 |
A8B46C73 |
436.35 |
2.12 |
-7.8 |
-1.38 |
0 |
|
|
329319 |
126734610 |
1 |
N6H48C71 |
A6B48C71 |
369.21 |
4.87 |
-7.71 |
-1.18 |
0 |
|
|
329320 |
126734615 |
1 |
N7H35C60 |
A7B35C60 |
354.49 |
5.69 |
-8.44 |
-1.32 |
0 |