List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
131207 |
51175186 |
1 |
SN2O4C17H20 |
AB2C4D17E20 |
-119.49 |
5.77 |
-9.74 |
-0.63 |
0 |
|
|
131208 |
51175187 |
1 |
N2O3C19H30 |
A2B3C19D30 |
-131.3 |
2.93 |
-8.89 |
-0.11 |
0 |
|
|
131209 |
51175358 |
1 |
N2O2C15H20 |
A2B2C15D20 |
-78.93 |
2.23 |
-9.4 |
-0.56 |
0 |
|
|
131210 |
51175762 |
1 |
NO4H15C16 |
AB4C15D16 |
-114.52 |
2.09 |
-8.74 |
-1.17 |
0 |
|
|
131211 |
51175763 |
1 |
O5H16C18 |
A5B16C18 |
-150.68 |
4.07 |
-8.8 |
-0.92 |
0 |
|
|
131212 |
51175773 |
1 |
N3O3C20H23 |
A3B3C20D23 |
-71.32 |
0.49 |
-9.17 |
-0.72 |
0 |
|
|
131213 |
51176007 |
1 |
SN3O3C19H23 |
AB3C3D19E23 |
-4.29 |
5.5 |
-9.01 |
-1.71 |
0 |
|
|
131214 |
51176175 |
1 |
NO3C14H17 |
AB3C14D17 |
-120.17 |
2.14 |
-9.97 |
-0.9 |
0 |
|
|
131215 |
51176176 |
1 |
ON4C13H16 |
AB4C13D16 |
32.99 |
4.91 |
-9.5 |
-0.99 |
0 |
|
|
131216 |
51176177 |
1 |
FN2O3C20H21 |
AB2C3D20E21 |
-119.52 |
6.72 |
-9.11 |
-0.19 |
0 |
|
|
131217 |
51176409 |
1 |
SO3N4C18H24 |
AB3C4D18E24 |
-57.69 |
2.73 |
-8.99 |
-1.09 |
0 |
|
|
131218 |
51176616 |
1 |
ClFN2O2C16H18 |
ABC2D2E16F18 |
-133.1 |
4.63 |
-9.3 |
-0.78 |
0 |
|
|
131219 |
51176918 |
1 |
BrON4H13C16 |
ABC4D13E16 |
70.5 |
3.57 |
-9.48 |
-1.28 |
0 |
|
|
131220 |
51177189 |
1 |
NO2C19H21 |
AB2C19D21 |
-45.95 |
4.45 |
-9.09 |
0.01 |
0 |
|
|
131221 |
51177190 |
1 |
FNOC18H18 |
ABCD18E18 |
-51.44 |
4.21 |
-9.27 |
-0.42 |
0 |
|
|
131222 |
51177191 |
1 |
ON2C21H22 |
AB2C21D22 |
3.2 |
5.44 |
-8.45 |
0.02 |
0 |
|
|
131223 |
51177268 |
1 |
O2N3C21H23 |
A2B3C21D23 |
-32.6 |
3.19 |
-9.23 |
-0.88 |
0 |
|
|
131224 |
51177386 |
1 |
N3O3C23H31 |
A3B3C23D31 |
-128.08 |
5.43 |
-8.74 |
-0.03 |
0 |
|
|
131225 |
51177458 |
1 |
ClN2O2S2C16H17 |
AB2C2D2E16F17 |
-23.37 |
1.11 |
-9.33 |
-0.64 |
0 |
|
|
131226 |
51177459 |
1 |
ClSN2O3C19H21 |
ABC2D3E19F21 |
-62.81 |
1.75 |
-9.22 |
-0.57 |
0 |
|
|
131227 |
51177460 |
1 |
ClN2S2O3C16H17 |
AB2C2D3E16F17 |
-59.61 |
1.9 |
-9.14 |
-0.37 |
0 |
|
|
131228 |
51177533 |
1 |
NO4C19H21 |
AB4C19D21 |
-122.55 |
4.93 |
-8.74 |
0.0 |
0 |
|
|
131229 |
51177534 |
1 |
N3O4C16H17 |
A3B4C16D17 |
-97.29 |
5.51 |
-8.84 |
-0.98 |
0 |
|
|
131230 |
51177958 |
1 |
NSO4H15C16 |
ABC4D15E16 |
-110.28 |
5.82 |
-9.12 |
-0.72 |
0 |
|
|
131231 |
51177959 |
1 |
NSO3H17C18 |
ABC3D17E18 |
-62.01 |
5.2 |
-9.56 |
-0.95 |
0 |
|
|
131232 |
51177960 |
1 |
ClFNSO3H11C14 |
ABCDE3F11G14 |
-124.74 |
6.08 |
-8.98 |
-0.75 |
0 |
|
|
131233 |
51178385 |
1 |
N2O4C17H20 |
A2B4C17D20 |
-107.51 |
1.7 |
-8.27 |
-0.16 |
0 |
|
|
131234 |
51179023 |
1 |
N3O5C16H25 |
A3B5C16D25 |
-161.68 |
3.22 |
-8.35 |
-0.2 |
0 |
|
|
131235 |
51179160 |
1 |
FNSO3H16C17 |
ABCD3E16F17 |
-129.04 |
2.03 |
-8.94 |
-0.77 |
0 |
|
|
131236 |
51179197 |
1 |
SF2O2N3C17H19 |
AB2C2D3E17F19 |
-119.47 |
3.37 |
-8.93 |
-0.49 |
0 |
|
|
131237 |
51179920 |
1 |
S2O3N5H15C16 |
A2B3C5D15E16 |
51.8 |
4.24 |
-9.21 |
-1.52 |
0 |
|
|
131238 |
51179956 |
1 |
N2O3H20C21 |
A2B3C20D21 |
-47.71 |
5.76 |
-8.9 |
-0.72 |
0 |
|
|
131239 |
51180296 |
1 |
SCl2O3N4H12C15 |
AB2C3D4E12F15 |
-56.88 |
7.71 |
-8.36 |
-1.53 |
0 |
|
|
131240 |
51180297 |
1 |
Cl2O3N4H16C17 |
A2B3C4D16E17 |
-24.9 |
8.45 |
-8.56 |
-1.04 |
0 |
|
|
131241 |
51180528 |
1 |
SN2O5C18H20 |
AB2C5D18E20 |
-154.58 |
3.74 |
-8.48 |
-0.64 |
0 |
|
|
131242 |
51180821 |
1 |
SN2O3C16H24 |
AB2C3D16E24 |
-125.75 |
8.03 |
-9.48 |
-0.52 |
0 |
|
|
131243 |
51180825 |
1 |
NO3C17H25 |
AB3C17D25 |
-138.02 |
5.12 |
-8.79 |
0.1 |
0 |
|
|
131244 |
51180826 |
1 |
OSN2F3C15H19 |
ABC2D3E15F19 |
-203.95 |
1.69 |
-9.3 |
-1.31 |
0 |
|
|
131245 |
51181027 |
1 |
N2O4C21H26 |
A2B4C21D26 |
-137.76 |
4.74 |
-8.52 |
0.13 |
0 |
|
|
131246 |
51181104 |
1 |
NSO3C16H17 |
ABC3D16E17 |
-63.5 |
6.14 |
-8.93 |
-0.3 |
0 |
|
|
131247 |
51181112 |
1 |
N3O3C22H35 |
A3B3C22D35 |
-135.25 |
3.63 |
-8.99 |
0.22 |
0 |
|
|
131248 |
51181165 |
1 |
ClNO4H16C17 |
ABC4D16E17 |
-111.97 |
6.3 |
-9.11 |
-0.69 |
0 |
|
|
131249 |
51181166 |
1 |
NSO2C17H19 |
ABC2D17E19 |
-36.76 |
5.39 |
-8.93 |
-0.74 |
0 |
|
|
131250 |
51181255 |
1 |
SN2O2F3C17H17 |
AB2C2D3E17F17 |
-209.94 |
4.0 |
-9.23 |
-0.82 |
0 |
|
|
131251 |
51182064 |
1 |
SN2O3C17H20 |
AB2C3D17E20 |
-96.05 |
9.58 |
-9.03 |
-0.53 |
0 |
|
|
131252 |
51182139 |
1 |
NO5C20H27 |
AB5C20D27 |
-170.77 |
4.96 |
-8.41 |
0.42 |
0 |
|
|
131253 |
51182140 |
1 |
FNO2C17H18 |
ABC2D17E18 |
-81.28 |
3.72 |
-9.23 |
-0.7 |
0 |
|
|
131254 |
51182141 |
1 |
NO4C19H23 |
AB4C19D23 |
-115.95 |
6.22 |
-8.79 |
-0.43 |
0 |
|
|
131255 |
51182228 |
1 |
ClSN3O3C18H18 |
ABC3D3E18F18 |
-42.4 |
3.48 |
-8.96 |
-1.48 |
0 |
|
|
131256 |
51182543 |
1 |
Cl2F2N2O2C15H16 |
A2B2C2D2E15F16 |
-162.64 |
2.93 |
-9.65 |
-0.47 |
0 |
|
|
131257 |
51182711 |
1 |
FSN3O3H16C17 |
ABC3D3E16F17 |
-117.64 |
3.69 |
-9.22 |
-0.7 |
0 |
|
|
131258 |
51182712 |
1 |
FN4O4C17H21 |
AB4C4D17E21 |
-218.29 |
3.0 |
-9.4 |
-0.73 |
0 |
|
|
131259 |
51182713 |
1 |
FSN3O5C16H18 |
ABC3D5E16F18 |
-236.84 |
7.47 |
-9.57 |
-0.9 |
0 |
|
|
131260 |
51182803 |
1 |
SN3O5C17H23 |
AB3C5D17E23 |
-121.18 |
8.74 |
-9.05 |
-1.05 |
0 |
|
|
131261 |
51183199 |
1 |
ClO2N3C21H26 |
AB2C3D21E26 |
-54.25 |
3.34 |
-8.83 |
-0.37 |
0 |
|
|
131262 |
51183284 |
1 |
FN3O4C18H20 |
AB3C4D18E20 |
-86.35 |
9.38 |
-9.09 |
-1.27 |
0 |
|
|
131263 |
51183285 |
1 |
ClFN3O4C18H19 |
ABC3D4E18F19 |
-92.32 |
8.67 |
-9.13 |
-1.5 |
0 |
|
|
131264 |
51183787 |
1 |
NF2O2S2C13H13 |
AB2C2D2E13F13 |
-124.31 |
5.92 |
-8.93 |
-1.15 |
0 |
|
|
131265 |
51183996 |
1 |
O3N4C22H22 |
A3B4C22D22 |
-49.86 |
5.38 |
-9.65 |
-0.93 |
0 |
|
|
131266 |
51184115 |
1 |
N2O3C19H24 |
A2B3C19D24 |
-118.73 |
1.53 |
-9.44 |
0.1 |
0 |
|
|
131267 |
51184411 |
1 |
OSN4C20H22 |
ABC4D20E22 |
47.62 |
2.95 |
-8.8 |
-0.37 |
0 |
|
|
131268 |
51184596 |
1 |
SO3N4C16H20 |
AB3C4D16E20 |
-78.19 |
1.7 |
-8.39 |
-0.2 |
0 |
|
|
131269 |
51185176 |
1 |
SCl2N2O2H14C15 |
AB2C2D2E14F15 |
-47.06 |
3.85 |
-9.04 |
-1.13 |
0 |
|
|
131270 |
51185177 |
1 |
NSO3H19C20 |
ABC3D19E20 |
-23.29 |
3.94 |
-8.65 |
-0.6 |
0 |
|
|
131271 |
51185264 |
1 |
NF2O2H15C16 |
AB2C2D15E16 |
-137.66 |
3.21 |
-8.87 |
-0.83 |
0 |
|
|
131272 |
51185265 |
1 |
O2N5C16H17 |
A2B5C16D17 |
20.74 |
5.86 |
-8.91 |
-1.27 |
0 |
|
|
131273 |
51185266 |
1 |
O2N3C17H17 |
A2B3C17D17 |
-10.28 |
4.39 |
-8.75 |
-0.97 |
0 |
|
|
131274 |
51185393 |
2 |
ON2C8H10 |
AB2C8D10 |
-19.13 |
2.73 |
-8.94 |
-0.63 |
0 |
|
|
131275 |
51185394 |
2 |
NSO2C8H9 |
ABC2D8E9 |
-110.68 |
6.71 |
-8.78 |
-0.88 |
0 |
|
|
131276 |
51185427 |
1 |
N3O3H15C17 |
A3B3C15D17 |
-66.27 |
5.35 |
-8.96 |
-0.55 |
0 |
|
|
131277 |
51185586 |
1 |
ClO2N3C15H16 |
AB2C3D15E16 |
-18.6 |
4.42 |
-9.16 |
-0.26 |
0 |
|
|
131278 |
51185719 |
1 |
N2O3C14H22 |
A2B3C14D22 |
-123.98 |
2.51 |
-9.71 |
-0.33 |
0 |
|
|
131279 |
51185720 |
1 |
N2O2C17H26 |
A2B2C17D26 |
-108.13 |
3.8 |
-9.71 |
-0.45 |
0 |
|
|
131280 |
51185721 |
2 |
NOC9H14 |
ABC9D14 |
-114.19 |
2.14 |
-9.34 |
-0.04 |
0 |
|
|
131281 |
51186042 |
1 |
SN3O3C17H19 |
AB3C3D17E19 |
-61.42 |
1.6 |
-8.52 |
-0.7 |
0 |
|
|
131282 |
51186102 |
1 |
SN2O5H16C17 |
AB2C5D16E17 |
-126.19 |
5.18 |
-8.98 |
-1.19 |
0 |
|
|
131283 |
51186147 |
1 |
N2O4C21H28 |
A2B4C21D28 |
-187.1 |
4.34 |
-8.46 |
-0.04 |
0 |
|
|
131284 |
51186405 |
1 |
N2O3C20H26 |
A2B3C20D26 |
-84.57 |
4.55 |
-8.46 |
-0.16 |
0 |
|
|
131285 |
51186670 |
1 |
SN2O3C19H24 |
AB2C3D19E24 |
-74.26 |
2.14 |
-8.82 |
-0.96 |
0 |
|
|
131286 |
51186671 |
1 |
O2N3C21H23 |
A2B3C21D23 |
-6.69 |
2.08 |
-8.75 |
-1.04 |
0 |
|
|
131287 |
51186959 |
1 |
N2S2O3C18H22 |
A2B2C3D18E22 |
-83.39 |
2.66 |
-8.98 |
-0.25 |
0 |
|
|
131288 |
51186987 |
1 |
N2O3C21H22 |
A2B3C21D22 |
-86.31 |
3.35 |
-8.94 |
-0.34 |
0 |
|
|
131289 |
51187085 |
2 |
ON2H11C12 |
AB2C11D12 |
41.55 |
4.33 |
-9.12 |
-1.27 |
0 |
|
|
131290 |
51187260 |
1 |
O2N5C21H25 |
A2B5C21D25 |
-17.22 |
6.92 |
-9.3 |
-0.82 |
0 |
|
|
131291 |
51187546 |
1 |
SN3O3C18H19 |
AB3C3D18E19 |
-64.87 |
3.7 |
-8.94 |
-1.27 |
0 |
|
|
131292 |
51187547 |
1 |
N2O3C24H34 |
A2B3C24D34 |
-153.59 |
2.44 |
-8.84 |
0.17 |
0 |
|
|
131293 |
51187616 |
1 |
O3N4C22H26 |
A3B4C22D26 |
-70.61 |
6.7 |
-8.99 |
-0.44 |
0 |
|
|
131294 |
51187617 |
1 |
SO2N4C21H26 |
AB2C4D21E26 |
-46.51 |
2.34 |
-8.91 |
-0.26 |
0 |
|
|
131295 |
51187618 |
1 |
ON7C21H21 |
AB7C21D21 |
122.04 |
10.14 |
-9.06 |
-1.14 |
0 |
|
|
131296 |
51187619 |
1 |
SN3O3C21H23 |
AB3C3D21E23 |
-40.28 |
9.33 |
-8.82 |
-0.76 |
0 |
|
|
131297 |
51187620 |
1 |
ON3C23H27 |
AB3C23D27 |
21.4 |
5.49 |
-8.83 |
-0.3 |
0 |
|
|
131298 |
51187621 |
1 |
ON6C22H22 |
AB6C22D22 |
106.66 |
6.95 |
-8.85 |
-0.93 |
0 |
|
|
131299 |
51187622 |
1 |
N3O3C23H23 |
A3B3C23D23 |
-46.42 |
4.26 |
-8.95 |
-0.83 |
0 |
|
|
131300 |
51187623 |
1 |
ON3C20H25 |
AB3C20D25 |
8.78 |
5.83 |
-8.88 |
-0.31 |
0 |
|
|
131301 |
51188076 |
1 |
N2O2H16C17 |
A2B2C16D17 |
-15.15 |
5.41 |
-8.86 |
-1.11 |
0 |
|
|
131302 |
51188077 |
1 |
SN2O4C17H20 |
AB2C4D17E20 |
-100.36 |
7.83 |
-9.23 |
-0.91 |
0 |
|
|
131303 |
51188078 |
1 |
N2O5C16H18 |
A2B5C16D18 |
-94.2 |
2.92 |
-9.15 |
-1.25 |
0 |
|
|
131304 |
51188381 |
1 |
SO2N3C13H13 |
AB2C3D13E13 |
-41.95 |
5.01 |
-8.48 |
-0.92 |
0 |
|
|
131305 |
51188394 |
1 |
FOSN2H19C20 |
ABCD2E19F20 |
-32.02 |
7.6 |
-8.73 |
-1.25 |
0 |
|
|
131306 |
51188416 |
1 |
SN2O2C20H20 |
AB2C2D20E20 |
-7.49 |
7.21 |
-8.5 |
-1.09 |
0 |