Chemistry
Collection
8 items
•
Updated
•
4
Dataset Viewer
filename
stringlengths 31
31
| image
imagewidth (px) 99
2.64k
| mol
stringlengths 503
15.1k
|
|---|---|---|
US20210340158A1-20211104-C00313
|
00772001.cdx
ChemDraw10112101482D
32 34 0 0 0 0 0 0 0 0999 V2000
0.3572 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6441 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6441 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9296 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9296 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6441 -1.6500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 -2.4750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 1.6500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
-0.3572 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 1.2375 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
2 7 1 0
5 8 1 0
8 9 1 0
8 10 2 0
9 11 1 0
11 12 1 0
11 13 1 0
11 14 1 0
7 15 1 0
15 16 1 0
16 17 1 0
17 18 2 0
16 19 1 0
19 20 2 0
20 21 1 0
21 22 1 0
22 23 1 0
23 16 1 0
19 24 1 0
24 25 2 0
25 26 1 0
26 27 2 0
27 20 1 0
26 28 1 0
27 29 1 0
1 30 1 0
30 31 2 0
30 32 1 0
M CHG 2 30 1 32 -1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 30 31 32
M SBL 1 1 32
M SMT 1 O2^N
M SBV 1 32 0.7145 -0.4125
M END
|
|
US20210032213A1-20210204-C00193
|
00259001.cdx
ChemDraw01112111522D
21 22 0 0 0 0 0 0 0 0999 V2000
-1.7862 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 2.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 2.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
14 9 1 0
14 15 1 0
12 16 1 0
1 17 1 0
17 18 1 0
17 19 2 0
6 20 1 0
20 21 3 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 21
M SMT 1 CN
M SBV 1 21 0.0000 -0.8250
M END
|
|
US20210106694A1-20210415-C00068
|
00086001.cdx
ChemDraw03152109462D
24 26 0 0 0 0 0 0 0 0999 V2000
-0.1892 0.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9036 1.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9036 1.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5253 1.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6181 0.6771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1892 2.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5253 1.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1703 2.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9867 3.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3326 1.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9746 0.7588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1703 0.5752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9746 2.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3326 1.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9867 -0.2291 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.8019 -0.6367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1413 0.1785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5489 -1.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1757 -1.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5078 -1.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1153 -2.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6244 -2.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9565 -1.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5229 -3.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 4 2 0
2 3 2 0
2 5 1 0
3 6 1 0
4 7 1 0
4 12 1 0
5 14 1 0
6 7 2 0
7 8 1 0
8 9 2 0
8 13 1 0
10 11 1 0
10 13 1 0
11 12 1 0
12 15 1 0
15 16 2 0
15 17 2 0
15 18 1 0
18 19 2 0
18 23 1 0
19 20 1 0
20 21 2 0
21 22 1 0
21 24 1 0
22 23 2 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 10 15 16 17 18 19 20 21 22 23 24
M SBL 1 1 16
M SMT 1 ^Ts
M SBV 1 16 0.1836 0.8043
M END
|
|
US20210395256A1-20211223-C00214
|
00292001.cdx
ChemDraw11222109202D
36 41 0 0 0 0 0 0 0 0999 V2000
-0.0958 2.8760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0958 2.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6888 1.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1737 2.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6888 3.1309 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8103 3.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5248 2.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5248 2.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8103 1.6385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2392 1.6385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2392 0.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0238 1.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5088 1.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0238 0.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6870 -0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6870 0.7442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9023 0.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4174 0.3317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9023 -0.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7308 -1.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3000 -0.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6559 0.2301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8694 -0.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2860 -1.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4891 -0.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2756 -0.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8590 0.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4996 -1.9470 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-0.6454 1.2405 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.1285 -1.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3439 -1.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7119 -2.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4984 -2.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5088 -1.8096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1304 -2.4916 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
0.9168 -3.2885 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 1 1 0
1 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 2 1 0
8 10 1 0
3 17 1 0
10 11 1 0
10 12 1 0
12 13 1 0
13 14 1 0
14 11 1 0
15 16 1 0
16 17 1 0
17 18 2 0
18 19 1 0
19 15 2 0
19 20 1 0
20 31 2 0
30 21 2 0
21 15 1 0
11 22 1 1
22 23 2 0
23 24 1 0
24 25 2 0
25 26 1 0
26 27 2 0
27 22 1 0
24 28 1 0
27 29 1 0
30 31 1 0
30 32 1 0
32 33 2 0
32 34 1 0
31 35 1 0
35 36 3 0
M CHG 2 35 1 36 -1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 35 36
M SBL 1 1 40
M SMT 1 N^C
M SBV 1 40 0.2135 0.7969
M END
|
|
US20170066738A1-20170309-C00196
|
00218001.cdx
ChemDraw02031721092D
18 19 0 0 0 0 0 0 0 0999 V2000
-2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 -2.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 2.0625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
4 7 1 0
6 8 1 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
14 9 1 0
14 15 1 0
11 16 1 0
16 17 2 0
16 18 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 16 17 18
M SBL 1 1 17
M SMT 1 COOH
M SBV 1 17 -0.7145 0.4125
M END
|
|
US20190216774A1-20190718-C00326
|
00362001.cdx
ChemDraw06171910512D
33 35 0 0 0 0 0 0 0 0999 V2000
-2.9131 1.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0881 1.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6756 2.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0881 3.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9131 3.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3256 2.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3256 1.2683 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-0.8506 2.6973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4381 1.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3869 1.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7994 2.6973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6931 1.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0256 0.7133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6418 1.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0256 -0.1117 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
0.6888 -0.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6888 -1.3492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4033 -1.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1178 -1.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1178 -0.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4033 -0.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8322 -1.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8225 0.1018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4381 -0.8262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1837 1.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7671 2.3526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5467 -2.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2612 -2.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9756 -2.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2612 -3.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9756 -2.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1506 2.6973 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
-4.9756 2.6973 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
1 7 1 0
3 8 1 0
9 8 1 6
9 10 1 0
10 11 1 1
9 12 1 0
12 13 1 0
13 14 1 0
14 10 1 0
13 15 1 0
15 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
19 20 1 0
20 21 2 0
21 16 1 0
19 22 1 0
15 23 2 0
15 24 2 0
10 25 1 0
25 26 1 0
22 27 3 0
27 28 1 0
28 29 1 0
28 30 1 0
28 31 1 0
6 32 1 0
32 33 3 0
M CHG 2 32 1 33 -1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 34
M SMT 1 N^C
M SBV 1 34 0.8250 0.0000
M END
|
|
US20190284196A1-20190919-C00304
|
00318001.cdx
ChemDraw08221915132D
30 34 0 0 0 0 0 0 0 0999 V2000
-2.5900 0.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5900 -0.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8756 -0.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1611 -0.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1611 0.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8756 0.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5161 -1.0275 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2882 -0.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6462 -0.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2882 0.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5161 0.8263 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5900 -1.8492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1686 -2.1734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7114 -1.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7114 1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1686 1.9722 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5900 1.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5331 -1.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0079 -0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8296 -1.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3045 -0.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9577 0.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1360 0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6611 -0.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5331 1.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8799 2.1734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0079 0.7502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3045 0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8296 0.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3045 -0.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
4 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 5 1 0
7 12 1 0
12 13 2 0
13 14 1 0
14 8 2 0
10 15 2 0
15 16 1 0
16 17 2 0
17 11 1 0
14 18 1 0
18 19 1 0
19 20 2 0
20 21 1 0
21 22 2 0
22 23 1 0
23 24 2 0
24 19 1 0
15 25 1 0
25 26 2 0
25 27 1 0
27 29 1 0
28 29 1 0
2 30 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 5 25 26 27 28 29
M SBL 1 1 29
M SMT 1 CO2Et
M SBV 1 29 -0.8217 -0.0740
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 1 30
M SBL 2 1 34
M SMT 2 M^e
M SBV 2 34 0.7145 0.4125
M END
|
|
US20200399262A1-20201224-C00168
|
00200001.cdx
ChemDraw11202008432D
33 35 0 0 0 0 0 0 0 0999 V2000
-0.7145 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 0.6187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 3.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -1.4437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -3.0938 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.2868 0.6187 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
-5.0013 0.2062 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0
4.2868 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 1 1 0
1 7 2 0
7 8 1 0
5 9 2 0
9 10 1 0
6 11 2 0
3 12 1 0
8 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 8 1 0
10 18 2 0
18 19 1 0
19 20 2 0
20 21 1 0
21 22 2 0
22 10 1 0
12 23 1 0
12 24 2 0
23 25 1 0
25 26 1 0
26 27 1 0
26 28 2 0
27 29 1 0
15 30 1 0
30 31 3 0
20 32 1 0
32 33 3 0
M CHG 2 30 1 31 -1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 32
M SMT 1 N^C
M SBV 1 32 0.7145 0.4125
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 34
M SMT 2 CN
M SBV 2 34 -0.7145 0.4125
M END
|
|
US20200407372A1-20201231-C00241
|
00227001.cdx
ChemDraw12022019172D
32 37 0 0 0 0 0 0 0 0999 V2000
0.9984 -0.5352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9984 -1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7128 -1.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4273 -1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4273 -0.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7128 -0.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5135 -2.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3205 -2.3523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7330 -1.6378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1810 -1.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3525 -0.2177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2839 -0.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2839 0.7023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4306 1.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1451 0.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1451 -0.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4306 -0.5352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7581 -0.6748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4226 -1.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6021 -1.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8595 1.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8595 1.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5740 2.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2885 1.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2885 1.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5740 0.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5740 -0.1227 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-4.0731 2.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5580 1.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0731 0.8598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4306 1.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5580 -1.6378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 1 1 0
4 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 4 1 0
10 11 1 6
1 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 1 0
17 12 1 0
16 18 2 0
18 19 1 0
19 20 2 0
20 17 1 0
15 21 1 0
21 22 2 0
22 23 1 0
23 24 2 0
24 25 1 0
25 26 2 0
26 21 1 0
26 27 1 0
24 28 1 0
28 29 1 0
29 30 1 0
30 25 1 0
14 31 1 0
9 32 1 6
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 1 31
M SBL 1 1 36
M SMT 1 Me
M SBV 1 36 0.0000 -0.8250
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 1 32
M SBL 2 1 37
M SMT 2 Me
M SBV 2 37 -0.8250 0.0000
M END
|
|
US20180029996A1-20180201-C00183
|
00218001.cdx
ChemDraw12221701002D
35 38 0 0 0 0 0 0 0 0999 V2000
-3.5724 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.8563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.6188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -0.2063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 1.0312 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2868 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0013 0.6187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.0013 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2868 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7158 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4302 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7158 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 -1.0313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 2 2 0
5 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 6 1 0
11 12 2 0
10 13 1 0
13 14 1 0
14 15 1 0
14 16 2 0
15 17 1 0
17 18 1 0
18 19 1 0
19 20 2 0
20 21 1 0
21 22 2 0
22 23 1 0
23 18 2 0
21 24 1 0
1 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
29 1 1 0
27 30 1 0
30 31 1 0
30 32 2 0
15 33 1 0
20 34 1 0
34 35 3 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 34 35
M SBL 1 1 37
M SMT 1 CN
M SBV 1 37 -0.7145 0.4125
M END
|
|
US20190231885A1-20190801-C00158
|
00186001.cdx
ChemDraw06251906472D
25 24 0 0 0 0 0 0 0 0999 V2000
-3.7934 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9684 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2539 -0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5395 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5395 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2539 -0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9684 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2059 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7934 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9684 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2539 -0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5395 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5395 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2539 -0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9684 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3020 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7934 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2059 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2059 -0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 1 0
1 11 1 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 1 0
18 19 2 0
19 20 1 0
20 21 1 0
5 6 1 0
5 22 1 4
10 23 1 0
23 24 2 0
23 25 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 23 24 25
M SBL 1 1 22
M SMT 1 CO2H
M SBV 1 22 -0.8250 0.0000
M END
|
|
US20200172512A1-20200604-C00223
|
00253001.cdx
ChemDraw05052014122D
23 25 0 0 0 0 0 0 0 0999 V2000
-2.5006 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 -2.4750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.9296 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 1 2 0
1 7 1 0
4 8 1 0
8 9 1 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 10 1 0
13 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
19 14 1 0
18 20 1 0
16 21 1 0
11 22 1 0
7 23 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 1 23
M SBL 1 1 25
M SMT 1 M^e
M SBV 1 25 0.7145 0.4125
M END
|
|
US20210094919A1-20210401-C00500
|
00377001.cdx
ChemDraw02252102082D
39 43 0 0 0 0 0 0 0 0999 V2000
-2.0637 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0637 -2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3492 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6348 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6348 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3492 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7782 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4927 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2071 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2071 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4927 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7782 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0797 -2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7942 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7942 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0797 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5086 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2231 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9376 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0797 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7942 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7942 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0797 1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6348 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6348 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0797 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6348 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7942 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7942 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9376 -3.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7222 -3.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2071 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7222 -2.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2231 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4927 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5086 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0637 -3.7125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.5086 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2231 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
5 6 1 0
6 1 1 0
2 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 7 1 0
4 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
16 5 1 0
14 17 1 0
17 18 1 0
19 18 1 6
16 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
23 24 1 0
24 25 1 0
25 20 1 0
23 26 1 0
26 27 2 0
26 28 1 0
28 29 2 0
19 30 1 0
30 31 1 0
31 32 1 0
32 33 1 0
33 19 1 0
30 34 1 0
8 35 1 0
22 36 1 6
12 37 1 0
15 38 1 0
38 39 3 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 38 39
M SBL 1 1 42
M SMT 1 CN
M SBV 1 42 -0.7145 -0.4125
M END
|
|
US20200352956A1-20201112-C00034
|
00067001.cdx
ChemDraw10142013202D
27 31 0 0 0 0 0 0 0 0999 V2000
-3.4130 0.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4130 0.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6985 -0.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9840 0.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9840 0.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6985 1.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1994 -0.2093 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1994 1.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1097 0.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6525 1.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5052 1.8911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2213 2.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9799 1.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4494 0.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8619 0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5222 -0.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0043 0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1107 1.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0327 1.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8296 1.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4130 1.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1097 -0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8241 -1.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6048 -1.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6048 -1.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3193 -2.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
4 7 1 0
7 8 1 0
8 9 2 0
9 5 1 0
8 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 9 1 0
11 15 1 0
15 16 1 0
10 17 1 0
17 18 1 1
16 18 1 1
18 19 1 1
19 12 1 0
15 20 1 0
20 21 1 0
21 22 1 0
10 23 1 0
23 24 2 0
23 25 1 0
25 26 1 0
26 27 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 5 23 24 25 26 27
M SBL 1 1 27
M SMT 1 CO2CH2CH3
M SBV 1 27 0.0000 1.0902
M END
|
|
US20190194120A1-20190627-C00164
|
00175001.cdx
ChemDraw05111916052D
21 20 0 0 0 0 0 0 0 0999 V2000
-1.7862 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9296 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9296 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
2 10 1 1
3 11 2 0
10 12 1 0
10 13 1 0
8 14 2 0
15 16 1 0
16 17 1 0
16 18 1 0
16 19 1 0
20 21 2 0
15 20 1 0
1 20 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 7 15 16 17 18 19 20 21
M SBL 1 1 20
M SMT 1 Bo^c
M SBV 1 20 0.7145 -0.4125
M END
|
|
US20180179197A1-20180628-C00281
|
00301001.cdx
ChemDraw05131813582D
46 51 0 0 0 0 0 0 0 0999 V2000
-0.7513 0.5473 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1721 0.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4072 0.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9864 0.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4072 -0.1216 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.5657 0.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5657 -0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1450 -0.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7242 -0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7242 0.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1450 0.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1450 1.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9864 1.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4072 1.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1721 1.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0309 2.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3621 2.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0276 1.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3621 1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0309 1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3654 1.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3734 1.5469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3035 0.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9145 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3654 2.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0342 2.8445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3654 0.5274 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.3306 0.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9098 0.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3306 1.5506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5209 0.8193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9684 0.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6340 -0.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9798 -0.1180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.6373 0.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9717 -0.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6373 -0.8363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9684 -0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6940 1.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7967 -1.4155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2092 -2.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6217 -2.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7967 -2.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0342 -2.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9717 -1.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5592 -2.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
3 5 1 0
4 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 6 1 0
10 23 1 0
11 12 1 0
4 13 2 0
13 14 1 0
14 15 2 0
15 2 1 0
2 3 2 0
3 4 1 0
16 17 2 0
17 18 1 0
18 19 2 0
19 20 1 0
20 21 2 0
21 16 1 0
18 22 1 0
22 23 2 0
23 24 1 0
24 19 1 0
16 25 1 0
25 26 1 0
20 27 1 0
1 28 1 0
28 29 1 0
28 30 2 0
29 31 1 0
31 32 1 0
32 33 2 0
33 34 1 0
34 29 2 0
32 35 1 0
35 36 1 0
36 37 1 0
37 38 1 0
38 33 1 0
31 39 1 0
40 41 1 0
41 42 1 0
41 43 1 0
41 44 1 0
45 46 2 0
40 45 1 0
37 45 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 7 40 41 42 43 44 45 46
M SBL 1 1 51
M SMT 1 Bo^c
M SBV 1 51 0.3344 0.5793
M END
|
|
US20120088778A1-20120412-C00246
|
00267001.cdx
ChemDraw02271210082D
44 47 0 0 0 0 0 0 0 0999 V2000
2.2996 0.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2996 -0.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 -0.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8706 -0.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8706 0.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 1.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0860 -0.3546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3989 0.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0860 0.9803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2239 0.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6364 -0.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4614 -0.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8739 0.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4614 1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6364 1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0141 -0.5121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7285 -0.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4430 -0.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6989 0.3129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1275 -1.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9244 -1.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1379 -2.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9348 -2.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0141 1.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1575 -0.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1114 1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9364 1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3489 0.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1739 0.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5864 -0.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1739 -1.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3489 -1.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9364 -0.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5864 -1.8305 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.0141 1.9629 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 1.9629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2996 2.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4430 1.9629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7285 2.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8719 -0.5121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5864 0.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5864 -0.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1575 -1.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8719 -1.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 1 2 0
4 7 1 0
7 8 1 0
8 9 2 0
9 5 1 0
8 10 1 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
14 15 1 0
15 10 2 0
2 16 1 0
16 17 1 0
17 18 1 0
13 19 1 0
7 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
1 24 1 0
18 25 1 0
19 26 1 0
26 27 1 0
27 28 1 0
28 29 2 0
29 30 1 0
30 31 2 0
31 32 1 0
32 33 2 0
33 28 1 0
31 34 1 0
24 35 1 0
35 37 1 0
35 39 1 0
36 37 1 0
38 39 1 0
25 40 1 0
40 42 1 0
40 44 1 0
41 42 1 0
43 44 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 5 35 36 37 38 39
M SBL 1 1 38
M SMT 1 NEt2
M SBV 1 38 0.0000 -0.8250
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 5 40 41 42 43 44
M SBL 2 1 43
M SMT 2 NEt2
M SBV 2 43 -0.7145 0.4125
M END
|
|
US20210284637A1-20210916-C00381
|
00423001.cdx
ChemDraw08252102512D
26 28 0 0 0 0 0 0 0 0999 V2000
0.3572 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1419 -1.9049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6268 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1419 -0.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9296 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6441 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6441 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3 5 1 0
5 6 1 0
1 7 1 0
7 8 1 0
8 9 2 0
9 2 1 0
4 10 1 0
10 11 1 0
10 12 2 0
11 13 1 0
13 14 1 0
4 15 2 0
15 16 1 0
16 1 2 0
1 2 1 0
2 3 2 0
3 4 1 0
6 17 1 0
17 18 1 0
18 19 1 0
19 20 1 0
20 21 1 0
21 6 1 0
18 22 1 0
22 23 1 0
14 24 1 0
23 25 1 0
25 26 3 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 CN
M SBV 1 27 -0.7145 0.4125
M END
|
|
US20210346356A1-20211111-C00068
|
00095001.cdx
ChemDraw10222115232D
46 52 0 0 0 0 0 0 0 0999 V2000
-0.7827 -3.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7823 -2.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5675 -3.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0521 -3.0899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5668 -2.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0025 -2.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0017 -3.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4870 -3.0913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8775 -3.9144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8771 -3.0894 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-5.3521 -3.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9392 -2.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3513 -1.6591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1142 -2.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7021 -3.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1150 -3.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9400 -3.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8766 -2.2644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1763 -1.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5892 -2.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1771 -3.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1932 -0.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0213 -0.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2007 -0.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4790 0.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8656 -0.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6510 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4715 1.2482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8066 0.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5499 -2.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9628 -1.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7249 -2.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9620 -3.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7878 -1.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1999 -2.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7870 -3.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3120 -3.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3128 -1.6628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7241 -3.8065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8844 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5892 1.5336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9035 2.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1893 3.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6022 3.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7764 2.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4750 3.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 3 1 0
1 7 1 0
2 5 1 0
2 6 1 0
3 4 1 0
4 5 1 0
4 10 1 0
6 8 1 0
7 8 1 0
8 37 1 0
9 10 2 0
10 15 1 0
10 18 2 0
11 12 2 0
11 21 1 0
11 17 1 0
12 13 1 0
12 14 1 0
13 19 1 0
14 15 2 0
15 16 1 0
16 17 2 0
19 20 1 0
20 21 1 0
22 23 1 0
22 25 2 0
22 29 1 0
23 24 1 0
24 26 1 0
24 34 1 0
25 26 1 0
25 27 1 0
27 28 1 0
28 29 1 0
30 31 2 0
30 32 1 0
30 33 1 0
31 34 1 0
32 37 1 0
32 38 1 1
33 36 2 0
34 35 2 0
35 36 1 0
37 39 2 0
28 40 1 0
40 41 2 0
40 42 1 0
42 43 1 0
43 44 1 0
43 45 1 0
43 46 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 7 40 41 42 43 44 45 46
M SBL 1 1 46
M SMT 1 Boc
M SBV 1 46 -0.4129 -0.7142
M END
|
|
US20200199121A1-20200625-C00266
|
00279001.cdx
ChemDraw05192015192D
40 44 0 0 0 0 0 0 0 0999 V2000
-1.1333 1.4916 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1333 0.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4189 0.2541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2956 0.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2956 1.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4189 1.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0101 0.2541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7246 0.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7246 1.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0101 1.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4390 1.9041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1535 1.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1535 0.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8680 0.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5824 0.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5824 1.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8680 1.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8680 2.7291 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.2969 0.2541 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.4390 0.2541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8478 0.2541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8478 -0.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5623 -0.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5623 -1.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8478 -2.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1333 -1.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1333 -0.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4189 -2.2209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2956 -1.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0101 -2.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7246 -1.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2956 -0.9834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2767 -0.5709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9912 -0.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7449 -0.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2969 -1.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8844 -1.9754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.0774 -1.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0101 -0.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2200 -2.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
4 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
10 5 1 0
9 11 1 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 12 1 0
17 18 1 0
15 19 1 0
8 20 2 0
2 21 1 0
21 22 1 0
22 23 2 0
23 24 1 0
24 25 2 0
25 26 1 0
26 27 2 0
27 22 1 0
26 28 1 0
28 29 1 0
29 30 1 0
30 31 2 0
29 32 2 0
23 33 1 0
33 34 1 0
34 35 1 0
35 36 1 0
36 37 1 0
37 38 1 0
38 34 1 0
7 39 1 0
37 40 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 1 39
M SBL 1 1 43
M SMT 1 Me
M SBV 1 43 0.0000 0.8250
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 1 40
M SBL 2 1 44
M SMT 2 M^e
M SBV 2 44 0.3356 0.7537
M END
|
|
US20210292281A1-20210923-C00320
|
00333001.cdx
ChemDraw08112109182D
31 34 0 0 0 0 0 0 0 0999 V2000
1.4673 0.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0548 -0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2343 -0.1883 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0628 -0.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7773 -1.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6517 -1.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3904 -0.8557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7773 -2.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0628 -2.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6517 -2.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6517 -3.0578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3661 -2.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6517 -0.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0806 -1.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3661 -0.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0806 -2.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3661 -3.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7951 -2.6453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1973 -1.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2923 0.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7048 1.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2923 2.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4673 2.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0548 1.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7048 2.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5298 2.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2923 3.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7494 -0.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4523 -1.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7951 -0.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5298 -0.6201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 7 1 0
3 4 1 0
4 5 2 0
4 6 1 0
5 7 1 0
5 8 1 0
6 10 1 0
6 13 1 6
6 15 1 0
7 19 1 0
8 9 1 0
9 10 1 0
10 11 1 1
10 12 1 0
12 16 1 0
12 17 1 1
14 15 2 0
14 16 1 0
16 18 2 0
1 20 2 0
20 21 1 0
21 22 2 0
22 23 1 0
23 24 2 0
24 1 1 0
22 25 1 0
25 26 1 0
25 27 1 0
19 28 1 0
19 29 1 0
14 30 1 0
30 31 3 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 N^C
M SBV 1 33 0.7145 -0.4125
M END
|
|
US20190127361A1-20190502-C00305
|
00306001.cdx
ChemDraw03191916192D
30 33 0 0 0 0 0 0 0 0999 V2000
-2.6812 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5062 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7611 2.2123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0937 2.6973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.4263 2.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6812 0.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6812 -0.2223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6812 -1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3957 -1.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3957 -2.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6812 -2.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9667 -2.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9667 -1.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1417 -1.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1417 -2.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3167 -1.4598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4067 -1.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1212 -1.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1212 -0.6348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4067 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3078 -0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9462 -0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9462 -1.4598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6606 -1.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3751 -1.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3751 -0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6606 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0896 -1.8723 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-4.0896 0.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6294 2.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 1 0
4 5 2 0
5 1 1 0
1 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 8 2 0
13 14 1 0
14 15 2 0
14 16 1 0
16 17 1 0
17 18 1 0
18 19 1 0
19 20 1 0
20 21 1 0
21 16 1 0
19 22 1 0
22 23 1 0
23 24 2 0
24 25 1 0
25 26 2 0
26 27 1 0
27 22 2 0
25 28 1 0
2 29 1 0
5 30 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 1 29
M SBL 1 1 32
M SMT 1 Me
M SBV 1 32 0.5834 0.5834
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 1 30
M SBL 2 1 33
M SMT 2 Me
M SBV 2 33 -0.7969 -0.2135
M END
|
|
US20200102315A1-20200402-C00395
|
00426001.cdx
ChemDraw03042010492D
29 33 0 0 0 0 0 0 0 0999 V2000
1.8214 -1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9964 -1.7333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5839 -2.4478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9964 -3.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8214 -3.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2339 -2.4478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2231 -2.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3093 -3.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4444 -3.7753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2339 -3.8767 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8362 -2.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6646 -1.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2777 -0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0624 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2339 -1.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6208 -2.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1062 0.0987 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.1062 0.9237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9267 0.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3093 0.2156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0238 -3.8523 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
0.1032 0.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9237 1.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0952 1.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3807 2.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2324 1.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6865 1.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2945 3.0562 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
0.2082 3.8767 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
6 1 1 0
3 7 1 0
7 8 2 0
8 9 1 0
9 4 2 0
5 10 1 0
7 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
16 11 1 0
13 17 1 0
17 18 2 0
17 19 2 0
17 20 1 0
8 21 1 0
20 22 1 0
22 23 1 0
23 24 1 0
24 25 1 0
25 26 1 0
26 22 1 0
22 27 1 0
27 25 1 0
25 28 1 0
28 29 3 0
M CHG 2 28 1 29 -1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 28 29
M SBL 1 1 32
M SMT 1 N^C
M SBV 1 32 0.0862 -0.8205
M END
|
|
US20200071735A1-20200305-C00206
|
00106001.cdx
ChemDraw02132010432D
24 26 0 0 0 0 0 0 0 0999 V2000
-4.2868 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2868 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -1.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 0.4125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
4.2868 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 1.2375 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 8 1 0
11 14 1 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
20 15 1 0
4 21 1 0
18 22 1 0
22 23 2 0
22 24 1 0
M CHG 2 22 1 24 -1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 22 23 24
M SBL 1 1 24
M SMT 1 NO2
M SBV 1 24 -0.7145 -0.4125
M END
|
|
US20180339993A1-20181129-C00256
|
00317001.cdx
ChemDraw10081814222D
12 12 0 0 0 0 0 0 0 0999 V2000
-0.0204 0.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6941 0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4085 0.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1230 0.6470 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-0.7741 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3261 -0.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9136 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1066 -0.5860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3261 -1.4720 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
0.6941 1.4720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1230 0.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4767 -1.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
1 5 2 0
5 6 1 0
6 7 2 0
7 8 1 0
8 1 1 0
7 9 1 0
2 10 2 0
6 11 1 0
8 12 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 1 11
M SBL 1 1 11
M SMT 1 M^e
M SBV 1 11 0.7969 -0.2135
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 1 12
M SBL 2 1 12
M SMT 2 Me
M SBV 2 12 -0.5834 0.5834
M END
|
|
US20210060190A1-20210304-C00031
|
00046001.cdx
ChemDraw02052112022D
76 78 0 0 0 0 0 0 0 0999 V2000
-10.1398 2.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5736 1.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.7279 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9071 2.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2900 3.1705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.8117 1.7723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.7400 0.6038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.6706 1.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9493 1.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2201 1.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6627 0.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3889 1.8196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0934 1.3665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4018 2.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5200 1.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5188 2.6508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7720 1.4447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.2122 0.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9335 0.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8822 -0.9263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1683 -0.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1644 0.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8741 0.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8957 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6265 1.9564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2049 2.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2225 2.8377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6600 1.5999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5658 -0.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4141 4.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3932 3.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0963 2.7179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1597 4.3907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7111 4.4645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0971 1.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3418 1.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3443 0.6938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3683 0.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3683 -0.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1046 -0.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6566 0.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6566 1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9448 2.1006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3683 2.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3928 2.9350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1046 1.6834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1046 -1.6298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0352 4.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0340 3.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3081 2.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3105 4.5617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7610 4.5596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3250 2.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0859 1.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0859 0.7998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5440 -0.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2664 -0.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9727 -0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9567 -1.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2343 -2.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5280 -1.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8163 -1.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8163 -2.8815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6630 -2.0594 0.0000 Sn 0 0 0 0 0 0 0 0 0 0 0 0
7.1862 -4.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2023 -3.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9246 -3.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9406 -2.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1398 0.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4174 -0.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4014 -0.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6790 -1.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0436 -4.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0596 -3.7368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3533 -3.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3693 -2.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 3 1 0
2 7 2 0
2 6 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 13 1 0
8 9 1 0
8 11 2 0
8 12 1 0
9 10 2 0
10 15 1 0
10 18 1 0
11 19 1 0
12 13 1 0
12 14 2 0
15 16 2 0
15 17 1 0
17 35 1 0
18 19 2 0
20 21 2 0
21 22 1 0
21 29 1 0
22 23 1 0
24 23 1 1
24 25 1 0
24 26 1 0
25 36 1 0
26 27 2 0
26 28 1 0
28 53 1 0
30 31 1 0
30 33 2 0
30 34 1 0
31 32 1 0
35 32 1 6
35 36 1 0
36 37 2 0
38 39 1 0
38 41 1 0
39 40 1 0
40 47 1 0
42 41 1 1
42 43 1 0
42 44 1 0
43 54 1 0
44 45 2 0
44 46 1 0
47 62 1 0
48 49 1 0
48 51 1 0
48 52 2 0
49 50 1 0
53 50 1 6
53 54 1 0
54 55 2 0
56 57 2 0
56 61 1 0
57 58 1 0
58 59 2 0
59 60 1 0
60 61 2 0
61 62 1 0
62 63 2 0
59 64 1 0
64 68 1 0
64 72 1 0
64 76 1 0
65 66 1 0
66 67 1 0
67 68 1 0
69 70 1 0
70 71 1 0
71 72 1 0
73 74 1 0
74 75 1 0
75 76 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 13 64 65 66 67 68 69 70 71 72 73 74 75 76
M SBL 1 1 66
M SMT 1 SnBu3
M SBV 1 66 -0.7063 0.4263
M END
|
|
US20190263800A1-20190829-C00178
|
00188001.cdx
ChemDraw07251909532D
28 31 0 0 0 0 0 0 0 0999 V2000
-2.8522 -0.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8522 -0.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3610 -1.2498 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8698 -0.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8698 -0.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3610 -0.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3304 -1.1415 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9970 -0.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3304 -0.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0468 0.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4796 0.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1960 -0.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3712 -0.2238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6548 0.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3712 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1960 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2220 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5055 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0727 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3563 0.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9235 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2071 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9235 1.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3563 1.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7743 0.7586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0579 0.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3434 -0.1154 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
-4.0579 0.2971 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
4 7 1 0
7 8 1 0
8 9 2 0
9 5 1 0
9 10 1 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
16 11 1 0
14 17 1 0
17 18 1 0
18 19 1 0
19 20 2 0
20 21 1 0
21 22 2 0
22 23 1 0
23 24 2 0
24 19 1 0
22 25 1 0
25 26 1 0
1 27 1 0
27 28 3 0
M CHG 2 27 1 28 -1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 30
M SMT 1 N^C
M SBV 1 30 0.4912 -0.2836
M END
|
|
US20190055252A1-20190221-C00033
|
00054001.cdx
ChemDraw01141912442D
37 41 0 0 0 0 0 0 0 0999 V2000
0.2064 -2.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0314 -2.8032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0314 -1.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2064 -1.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6147 -3.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4397 -3.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0231 -2.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0231 -1.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4397 -1.3948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6147 -1.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3770 -1.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3770 -3.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1739 -3.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6532 -0.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4501 -0.3844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1635 -0.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7468 -0.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5437 -0.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7573 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1739 -1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1271 0.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7105 0.9386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2938 1.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0803 2.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6637 2.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4605 2.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6741 1.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0907 1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6637 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4605 0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6741 1.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0907 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2938 1.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0803 0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0699 -0.0146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3042 2.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7209 3.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
3 2 1 6
3 4 1 0
4 1 1 0
2 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 3 1 0
4 11 1 6
1 12 1 6
12 13 1 0
9 14 1 0
14 15 1 0
11 16 2 0
16 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
20 11 1 0
18 21 1 0
21 22 3 0
22 23 1 0
23 24 2 0
24 25 1 0
25 26 2 0
26 27 1 0
27 28 2 0
28 23 1 0
29 15 1 0
29 30 2 0
30 31 1 0
31 32 2 0
32 33 1 0
33 34 2 0
34 29 1 0
14 35 2 0
32 36 1 0
36 37 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 36 37
M SBL 1 1 40
M SMT 1 OCH3
M SBV 1 40 -0.2135 -0.7969
M END
|
|
US20180297999A1-20181018-C00495
|
00794001.cdx
ChemDraw09111810202D
37 41 0 0 0 0 0 0 0 0999 V2000
-4.6887 -0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6887 -1.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0636 -1.6242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4384 -1.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4384 -0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0636 -0.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8132 -0.1805 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8132 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4384 0.9023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.0636 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6887 0.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1881 0.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5629 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5629 -0.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9377 -0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3126 -0.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3126 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9377 0.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3126 -0.5414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3126 -1.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5629 -0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9377 -0.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1881 -0.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1881 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5629 0.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9377 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8132 0.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4384 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0636 0.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0636 1.6242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4384 1.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8132 1.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6887 1.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9377 -1.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6596 -1.2633 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-0.9377 -1.9852 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-0.2159 -1.2633 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 1 2 0
5 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 6 1 0
10 11 1 0
8 12 1 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 13 1 0
16 19 1 0
19 20 1 0
21 22 2 0
22 19 1 0
21 23 1 0
23 24 2 0
24 25 1 0
25 26 2 0
26 22 1 0
24 27 1 0
27 28 1 0
28 29 1 0
29 30 1 0
30 31 1 0
31 32 1 0
32 27 1 0
30 33 1 0
15 34 1 0
34 35 1 0
34 36 1 0
34 37 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 4 34 35 36 37
M SBL 1 1 38
M SMT 1 CF3
M SBV 1 38 0.0000 0.7219
M END
|
|
US20210353660A1-20211118-C00049
|
00064001.cdx
ChemDraw10252108442D
33 36 0 0 0 0 0 0 0 0999 V2000
0.5404 -1.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3654 -1.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9529 0.2605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2854 -0.2245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5115 -0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0948 -0.5943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1279 -1.7236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7779 -1.7236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4147 0.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5897 0.9727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3348 0.1880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0022 -0.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6697 0.1880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8272 1.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6522 1.6871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4147 2.4016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8917 -0.3808 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
-2.6886 -0.5943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8917 0.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1052 -1.1777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6203 -0.2245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9021 -1.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4855 -0.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2824 -1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4959 -1.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9125 -2.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1157 -2.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2720 -0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0584 0.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6418 1.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4387 1.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6522 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0689 -0.2245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 21 1 0
21 3 1 0
3 4 1 0
4 1 1 0
4 5 1 1
5 6 1 0
1 7 1 6
2 8 1 6
9 10 2 0
10 11 1 0
11 12 1 0
12 13 2 0
13 9 1 0
9 14 1 0
14 15 1 0
14 16 2 0
6 17 1 0
17 18 1 0
17 19 2 0
17 20 1 0
11 21 1 1
22 23 2 0
23 24 1 0
24 25 2 0
25 26 1 0
26 27 2 0
22 27 1 0
20 22 1 0
28 29 2 0
29 30 1 0
30 31 2 0
31 32 1 0
32 33 2 0
28 33 1 0
18 28 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 6 22 23 24 25 26 27
M SBL 1 1 29
M SMT 1 P^h
M SBV 1 29 0.7969 0.2135
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 6 28 29 30 31 32 33
M SBL 2 1 36
M SMT 2 P^h
M SBV 2 36 0.5834 -0.5834
M END
|
|
US20210115008A1-20210422-C00117
|
00082001.cdx
ChemDraw03222121162D
13 14 0 0 0 0 0 0 0 0999 V2000
1.4045 0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5795 0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1670 -0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5795 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4045 -0.7697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8170 -0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6580 -0.0553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6420 -0.0553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1429 0.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9275 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9275 -0.4678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1429 -0.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6420 0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
3 7 1 0
6 8 1 0
7 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 7 1 0
10 13 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 1 13
M SBL 1 1 14
M SMT 1 M^e
M SBV 1 14 0.7145 -0.4125
M END
|
|
US20190119287A1-20190425-C00516
|
00560001.cdx
ChemDraw03161912082D
9 10 0 0 0 0 0 0 0 0999 V2000
0.0406 0.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7833 0.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0790 -0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4378 -0.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2541 -0.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4378 -1.6768 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4378 -0.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5598 1.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0790 1.6768 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 1 1 0
4 6 1 0
4 7 1 0
7 1 1 0
1 8 1 0
8 9 3 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 8 9
M SBL 1 1 9
M SMT 1 CN
M SBV 1 9 -0.5192 -0.6411
M END
|
|
US20180072851A1-20180315-C00007
|
00027001.cdx
ChemDraw01181811412D
28 27 0 0 0 0 0 0 0 0999 V2000
-4.2868 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 -1.4437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 1.0313 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
4 14 2 0
7 15 1 0
10 16 2 0
15 17 1 0
17 18 1 0
18 19 1 0
19 20 1 0
19 23 1 0
19 26 1 0
20 22 1 0
21 22 1 0
23 25 1 0
24 25 1 0
26 28 1 0
27 28 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 10 19 20 21 22 23 24 25 26 27 28
M SBL 1 1 18
M SMT 1 Si(OEt)3
M SBV 1 18 -0.7145 -0.4125
M END
|
|
US20210261535A1-20210826-C00500
|
00560001.cdx
ChemDraw06222107182D
43 49 0 0 0 0 0 0 0 0999 V2000
-1.7418 2.3523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7418 1.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0273 1.1148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.4563 1.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3128 1.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4016 1.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4016 0.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1161 -0.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8306 0.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8306 1.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1161 1.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5450 -0.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0273 0.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7418 -0.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7418 -0.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0273 -1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3128 -0.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3128 -0.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4563 -1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2099 -1.0247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7620 -1.6378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3495 -2.3523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5425 -2.1807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.5824 -1.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2531 1.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4667 0.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6698 0.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1811 0.1189 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-2.7875 0.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0674 -2.2190 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-4.9180 -0.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8141 0.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3975 0.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5450 -0.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2595 -1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9740 -0.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9740 -0.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2595 0.2898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.4029 -1.4653 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.6885 -1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2760 -2.0747 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.4029 -1.7727 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.1010 -0.6458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
2 4 1 0
3 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 6 1 0
9 12 1 0
3 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 13 1 0
15 19 1 0
19 20 1 0
20 21 2 0
21 22 1 0
22 23 1 0
23 19 2 0
21 24 1 0
4 25 1 0
25 26 1 0
26 27 1 0
27 4 1 0
26 28 1 0
26 29 1 0
4 29 1 0
24 30 1 0
24 31 1 0
6 32 1 0
32 33 1 0
33 9 1 0
12 34 2 0
34 35 1 0
35 36 2 0
36 37 1 0
37 38 2 0
38 12 1 0
24 39 1 0
36 40 1 0
40 41 1 0
40 42 1 0
40 43 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 4 40 41 42 43
M SBL 1 1 46
M SMT 1 CF3
M SBV 1 46 -0.7145 0.4125
M END
|
|
US20190119212A1-20190425-C00308
|
00351001.cdx
ChemDraw03061901152D
15 15 0 0 0 0 0 0 0 0999 V2000
-2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
4 7 1 0
7 8 1 0
8 9 1 0
10 11 1 0
10 12 1 0
8 10 1 0
13 14 1 0
13 15 1 0
8 13 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 10 11 12
M SBL 1 1 12
M SMT 1 iPr
M SBV 1 12 -0.7145 0.4125
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 3 13 14 15
M SBL 2 1 15
M SMT 2 iPr
M SBV 2 15 0.0000 -0.8250
M END
|
|
US20190315722A1-20191017-C00027
|
00048001.cdx
ChemDraw09131920172D
30 32 0 0 0 0 0 0 0 0999 V2000
2.4209 2.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0084 1.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4209 0.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2459 0.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6584 1.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2459 2.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0084 3.0385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1834 1.6095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6985 2.2770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0861 2.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0861 1.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6985 0.9421 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8006 2.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5150 2.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5150 1.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8006 0.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6584 3.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9440 3.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0709 3.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3729 2.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6584 -1.6905 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-4.3729 -1.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9440 -1.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6584 -2.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9440 -0.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3729 -2.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2295 -0.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3729 -3.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2295 0.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6584 0.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 1 2 0
1 7 1 0
2 8 1 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 8 1 0
10 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
16 11 1 0
17 18 1 0
17 19 1 0
17 20 1 0
6 17 1 0
15 29 1 0
21 22 2 0
21 23 1 0
21 24 1 0
23 25 1 0
24 26 1 0
25 27 1 0
26 28 1 0
27 29 1 0
4 30 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 4 17 18 19 20
M SBL 1 1 22
M SMT 1 t-Bu
M SBV 1 22 -0.4125 -0.7145
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 9 21 22 23 24 25 26 27 28 29
M SBL 2 1 23
M SMT 2 CH3(CH2)7^S
M SBV 2 23 0.7145 0.4125
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 1 30
M SBL 3 1 32
M SMT 3 Me
M SBV 3 32 -0.4125 0.7145
M END
|
|
US20180141941A1-20180524-C01422
|
01490001.cdx
ChemDraw04111815372D
39 44 0 0 0 0 0 0 0 0999 V2000
-4.5300 -1.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7332 -1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1134 -1.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8999 -2.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1030 -2.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5196 -2.0763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1498 -0.6960 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-5.5282 0.8109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5282 -0.0141 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.7436 -0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2587 0.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7436 1.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5442 0.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8297 0.3984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2502 0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1152 0.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9103 0.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2784 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2479 -0.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7885 0.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 0.5424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6604 -1.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5300 1.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9467 2.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7436 2.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9103 -1.4357 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.3425 0.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9259 0.1726 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5560 1.5528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7227 0.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3061 -0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1030 0.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3165 0.8132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7332 1.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9363 1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1134 1.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8999 1.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9103 1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3269 0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 2 1 0
2 7 1 0
1 10 1 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 8 1 0
11 13 1 0
13 14 1 0
14 16 1 0
15 20 1 0
15 16 1 0
16 17 1 0
17 18 1 0
18 21 1 0
18 19 1 0
20 21 1 0
19 22 1 0
22 20 1 0
12 23 1 0
23 24 1 0
24 25 1 0
25 23 1 0
3 26 1 0
21 27 1 0
27 28 1 0
27 29 2 0
28 30 1 0
30 31 2 0
31 32 1 0
32 33 2 0
33 34 1 0
34 35 2 0
35 30 1 0
36 37 1 0
36 38 1 0
36 39 1 0
33 36 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 4 36 37 38 39
M SBL 1 1 44
M SMT 1 t-Bu
M SBV 1 44 -0.7969 -0.2135
M END
|
|
US20190134020A1-20190509-C00010
|
00030001.cdx
ChemDraw03201916502D
42 46 0 0 0 0 0 0 0 0999 V2000
-3.9296 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9296 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -2.6812 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 -1.4437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2543 -1.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8064 -0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3939 -0.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5869 -0.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 1.0313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8026 0.3168 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 0.6187 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.6276 1.7457 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
6 7 1 0
4 8 1 0
5 9 1 0
9 10 1 0
9 11 2 0
10 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 10 1 0
13 17 1 6
12 18 1 6
18 19 2 0
19 20 1 0
20 21 2 0
21 22 1 0
22 23 2 0
23 18 1 0
21 24 1 0
24 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
29 25 1 0
17 30 1 0
17 31 2 0
30 32 1 0
32 33 1 0
33 34 2 0
34 35 1 0
35 36 2 0
36 37 1 0
37 32 2 0
35 38 1 0
34 39 1 0
39 40 1 0
39 41 1 0
39 42 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 4 39 40 41 42
M SBL 1 1 43
M SMT 1 CF3
M SBV 1 43 -0.7145 0.4125
M END
|
|
US20210253627A1-20210819-C00997
|
01010001.cdx
ChemDraw07302120212D
15 16 0 0 0 0 0 0 0 0999 V2000
-0.2833 -0.7407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9454 -1.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7027 -0.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3647 -1.3982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4740 -1.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1360 -0.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0407 0.2439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2833 0.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3787 0.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0698 -0.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6875 -0.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7027 0.7362 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.2104 1.3982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1950 0.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3647 1.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
1 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 1 1 0
8 10 1 6
5 11 1 6
10 11 1 0
7 12 1 0
12 13 2 0
12 14 2 0
12 15 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 4 12 13 14 15
M SBL 1 1 13
M SMT 1 SO2CH3
M SBV 1 13 -0.6620 -0.4923
M END
|
|
US20190240223A1-20190808-C00149
|
00171001.cdx
ChemDraw07061915412D
29 31 0 0 0 0 0 0 0 0999 V2000
-1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
-3.9296 2.4750 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 2 0
7 2 1 0
3 17 1 0
5 8 1 0
4 9 2 0
6 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 10 1 0
13 16 1 0
1 18 2 0
18 19 1 0
19 20 2 0
20 21 1 0
21 22 2 0
22 1 1 0
17 23 3 0
23 24 1 0
24 25 1 0
24 26 1 0
24 27 1 0
20 28 1 0
28 29 3 0
M CHG 2 28 1 29 -1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 28 29
M SBL 1 1 30
M SMT 1 N^C
M SBV 1 30 0.7145 -0.4125
M END
|
|
US20180148435A9-20180531-C00101
|
00122001.cdx
ChemDraw09181714182D
34 37 0 0 0 0 0 0 0 0999 V2000
-1.5160 -0.9557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8015 -1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0870 -0.9557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0870 -0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8015 0.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5160 -0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6275 -1.3682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3419 -0.9557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3419 -0.1307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6275 0.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3113 -2.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1363 -2.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3913 -1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7238 -0.8833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0564 -1.3682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6275 1.1068 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3419 1.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3419 2.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0870 2.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0870 1.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2304 -1.3682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9449 -0.9557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9449 -0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6594 0.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3738 -0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3738 -0.9557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6594 -1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8015 2.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0564 2.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0564 3.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8015 3.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5488 -2.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3738 -2.8673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1363 -3.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
3 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 4 1 0
8 15 1 0
11 12 2 0
12 13 1 0
13 14 2 0
14 15 1 0
15 11 1 0
10 16 1 0
16 17 1 0
17 18 1 0
19 20 1 0
20 16 1 0
1 21 1 0
21 22 1 0
22 23 2 0
23 24 1 0
24 25 2 0
25 26 1 0
26 27 2 0
27 22 1 0
19 28 1 0
18 29 1 0
29 30 1 0
28 31 1 0
12 32 1 0
32 33 2 0
32 34 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 32 33 34
M SBL 1 1 35
M SMT 1 CO\s2\nH
M SBV 1 35 -0.4125 0.7145
M END
|
|
US20220306651A1-20220929-C00171
|
00178001.cdx
ChemDraw08292213002D
14 13 0 0 0 0 0 0 0 0999 V2000
-1.0717 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
8 9 1 0
9 10 1 0
9 11 1 0
9 12 1 0
13 14 2 0
8 13 1 0
1 13 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 7 8 9 10 11 12 13 14
M SBL 1 1 13
M SMT 1 Bo^c
M SBV 1 13 0.7145 -0.4125
M END
|
|
US20190224212A1-20190725-C00403
|
00424001.cdx
ChemDraw06171909052D
40 45 0 0 0 0 0 0 0 0999 V2000
-0.6809 2.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6809 1.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0336 0.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7480 1.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7480 2.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0336 2.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4655 2.3908 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9505 1.7233 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4655 1.0559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7205 3.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0336 0.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4625 0.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1770 1.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5936 1.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7603 1.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4625 0.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7480 -0.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7480 -1.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4625 -1.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1770 -1.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1770 -0.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1349 -1.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4705 -2.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2910 -2.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6720 -1.5447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8869 -0.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6436 -0.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3724 -0.8062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5244 -1.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9852 -2.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1608 -2.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3347 -1.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6059 -2.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0667 -3.1754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2564 -3.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8571 0.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3581 -0.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8914 0.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6059 1.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8914 0.0733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
1 7 1 0
7 8 1 0
8 9 2 0
9 2 1 0
7 10 1 0
3 11 1 0
12 4 1 1
12 13 1 0
13 14 1 0
13 15 1 0
12 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
19 20 1 0
20 21 2 0
21 16 1 0
18 22 1 0
22 23 1 0
23 24 1 0
24 19 1 0
22 25 1 1
25 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
29 30 2 0
30 31 1 0
31 25 1 0
29 32 1 0
32 33 2 0
33 34 1 0
34 35 2 0
35 30 1 0
27 36 1 0
27 37 1 0
13 38 1 0
38 39 2 0
38 40 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 38 39 40
M SBL 1 1 43
M SMT 1 CO2H
M SBV 1 43 -0.7145 0.4125
M END
|
|
US20190202851A1-20190704-C01315
|
01280001.cdx
ChemDraw06041913352D
16 18 0 0 0 0 0 0 0 0999 V2000
-0.2550 -0.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2550 -0.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1916 -0.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6381 -0.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6381 -0.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1916 0.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0844 0.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4284 0.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6381 0.2663 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
0.3875 1.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1777 1.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3351 1.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6381 1.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1916 -1.3678 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0
-0.2550 -1.6256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6381 -1.6256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 1 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 1 1 0
7 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 8 1 0
3 14 1 0
14 15 1 0
14 16 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 14 15 16
M SBL 1 1 16
M SMT 1 B(OH)2
M SBV 1 16 0.0000 0.5156
M END
|
|
US20110059047A1-20110310-C00200
|
00219001.cdx
ChemDraw01271108592D
34 37 0 0 0 0 0 0 0 0999 V2000
-1.7862 2.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 1.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 2.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 2.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 1.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 2.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 2.7377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 2.7377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 2.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.2627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 2.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0553 -1.8318 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7697 -1.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0247 -1.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3102 -1.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1822 -2.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7697 -3.2608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8967 -2.1338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 2.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 2.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 3.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 3.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 3.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2928 -2.5463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7053 -3.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1178 -3.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2928 -3.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5303 -3.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4678 -2.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0553 -3.2608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
4 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 5 1 0
1 11 1 0
11 12 1 0
9 14 1 0
7 13 1 0
18 13 1 6
15 16 1 0
16 17 1 0
17 18 1 0
18 19 1 0
19 15 1 0
16 20 1 1
20 21 2 0
20 22 1 0
14 23 2 0
23 24 1 0
24 25 2 0
25 26 1 0
26 27 2 0
27 14 1 0
28 29 1 0
29 30 1 0
29 31 1 0
29 32 1 0
33 34 2 0
28 33 1 0
15 33 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 7 28 29 30 31 32 33 34
M SBL 1 1 37
M SMT 1 Bo^c
M SBV 1 37 0.4125 0.7145
M END
|
|
US20220306673A1-20220929-C00458
|
00202001.cdx
ChemDraw08262213232D
51 54 0 0 0 0 0 0 0 0999 V2000
-2.9251 2.5477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1517 2.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3119 1.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7650 1.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3119 1.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7650 1.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9817 0.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0952 0.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9817 -0.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0952 -0.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7650 -0.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3119 -0.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3119 -1.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7650 -1.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5354 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8588 2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2181 2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3217 0.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4254 -0.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1047 -1.6185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5342 -2.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9715 -1.6196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6515 -0.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6515 -1.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6515 0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7288 0.9179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8950 1.6876 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.6426 1.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1780 2.1866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4348 -0.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3481 -0.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0952 -0.2422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8422 -0.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5893 -0.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2591 -0.6289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2290 0.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4819 0.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7348 0.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0123 0.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0590 -1.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6059 -1.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3530 -1.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5531 -0.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0062 -0.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3530 -2.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1780 -1.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0952 1.4912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7650 1.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0288 0.5741 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7759 0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8286 1.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 3 1 0
2 4 1 0
3 5 1 0
4 6 1 0
5 7 1 0
6 8 1 0
7 9 1 0
8 10 1 0
10 11 1 0
9 12 1 0
12 13 1 0
13 15 1 0
11 14 1 0
14 15 1 0
3 16 1 1
4 17 1 6
8 18 1 6
10 19 1 6
14 20 2 0
15 21 1 4
13 22 2 0
9 23 1 6
23 24 1 0
7 25 1 6
7 26 1 1
5 27 1 1
27 28 1 0
28 26 1 0
28 29 2 0
11 30 1 6
19 31 1 0
31 32 1 0
32 33 1 0
33 34 1 0
34 35 1 0
33 36 1 0
36 37 1 0
37 38 1 0
38 31 1 0
38 39 1 0
35 40 1 0
40 41 1 0
41 42 1 0
42 43 1 0
43 44 1 0
44 35 1 0
42 45 1 0
42 46 1 0
8 47 1 1
47 48 1 0
37 49 1 0
49 50 1 0
49 51 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 47 48
M SBL 1 1 50
M SMT 1 OCH3
M SBV 1 50 0.0000 -0.7734
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 3 49 50 51
M SBL 2 1 52
M SMT 2 N(CH3)\s2
M SBV 2 52 -0.5469 -0.5469
M END
|
|
US20220169648A1-20220602-C00186
|
00211001.cdx
ChemDraw05112216282D
28 31 0 0 0 0 0 0 0 0999 V2000
0.0000 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.6187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -0.6187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 1.8563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 3.0938 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 3.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -3.5062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
2 7 1 0
1 8 1 0
4 9 1 0
9 10 1 0
10 11 2 0
11 12 1 0
12 5 1 0
8 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 8 1 0
7 18 2 0
18 19 1 0
19 20 2 0
20 21 1 0
21 22 2 0
22 7 1 0
14 23 1 0
23 24 1 0
16 25 1 0
12 26 2 0
21 27 1 0
27 28 3 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 30
M SMT 1 CN
M SBV 1 30 0.0000 0.8250
M END
|
|
US20090203913A1-20090813-C00071
|
00091001.cdx
ChemDraw07110907382D
25 27 0 0 0 0 0 0 0 0999 V2000
-2.9480 -0.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9480 -1.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2335 -1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5191 -1.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5191 -0.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2335 -0.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7345 -1.6401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2495 -0.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7345 -0.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4853 1.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6885 1.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0583 0.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8552 0.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0687 1.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4749 0.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3220 0.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6625 -0.1477 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.1470 0.4092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8656 1.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6625 1.0498 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8854 0.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8854 1.7977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5999 0.5602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0289 0.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3144 0.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
4 7 1 0
7 8 1 0
8 9 2 0
9 5 1 0
9 16 1 0
10 11 2 0
11 15 1 0
15 12 2 0
12 13 1 0
13 14 2 0
14 10 1 0
15 16 1 0
1 17 1 0
16 18 1 1
14 19 1 0
19 20 3 0
16 21 1 6
21 22 2 0
21 23 1 0
23 25 1 0
24 25 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 CN
M SBV 1 21 -4.0913 17.3268
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 5 21 22 23 24 25
M SBL 2 1 23
M SMT 2 EtO2C
M SBV 2 23 -5.4516 17.6767
M END
|
|
US20190315741A1-20191017-C00011
|
00037001.cdx
ChemDraw09121908412D
34 38 0 0 0 0 0 0 0 0999 V2000
-4.5339 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5339 -1.0313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8194 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1050 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1050 -0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8194 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8194 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3905 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6760 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9616 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9616 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6760 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3905 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1050 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8194 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6760 -1.0312 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-0.2471 -0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4674 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4674 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2471 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2471 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2471 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4674 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9616 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2520 -0.0487 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7369 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2520 1.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5574 0.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8930 1.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4080 2.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5876 2.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1050 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7134 1.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5339 1.6311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 1 1 0
3 7 1 6
5 8 1 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 8 2 0
13 14 1 0
14 15 1 0
9 16 1 0
10 17 1 0
17 18 1 0
18 19 2 0
19 20 1 0
20 11 1 0
20 21 2 0
17 22 1 0
22 23 1 0
22 24 1 0
18 25 1 0
25 26 1 0
26 27 2 0
27 19 1 0
26 28 1 0
28 29 2 0
29 30 1 0
30 31 2 0
31 27 1 0
3 32 1 1
29 33 1 0
33 34 3 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 37
M SMT 1 CN
M SBV 1 37 -0.8205 -0.0862
M END
|
|
US20210380592A1-20211209-C00710
|
00815001.cdx
ChemDraw11032112152D
31 35 0 0 0 0 0 0 0 0999 V2000
-0.2462 1.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2462 0.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4683 0.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1827 0.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1827 1.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4683 2.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8278 0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6321 0.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9900 1.3751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6321 2.1184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8278 2.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9607 0.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6142 -0.3486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0552 2.8267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5124 3.4479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7538 3.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0393 3.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9607 -0.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8173 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7453 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2302 0.1376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7453 -0.5298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2340 0.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5629 -0.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7764 -0.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1931 -1.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6038 -1.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0552 0.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1872 -1.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9737 -2.7393 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
0.7601 -3.5362 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
4 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 5 1 0
2 12 1 0
7 13 1 0
10 14 1 0
14 15 2 0
15 16 1 0
16 11 2 0
16 17 1 0
13 19 1 0
18 12 1 0
12 20 2 0
20 21 1 0
21 22 1 0
22 18 2 0
19 23 1 0
23 24 2 0
24 25 1 0
25 26 2 0
26 27 1 0
27 19 2 0
21 28 1 0
27 29 1 0
29 30 1 0
30 31 3 0
M CHG 2 30 1 31 -1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 34
M SMT 1 N^C
M SBV 1 34 0.2135 0.7969
M END
|
|
US20210277004A1-20210909-C00419
|
00446001.cdx
ChemDraw08112111162D
34 38 0 0 0 0 0 0 0 0999 V2000
-1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 2.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.2375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
2.1434 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 1.6500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
-2.1434 1.2375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
-2.8579 0.8250 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 4 1 0
2 3 1 0
3 7 2 0
4 6 2 0
5 6 1 0
5 8 1 0
6 7 1 0
8 21 1 0
8 23 1 0
9 10 1 0
9 12 2 0
10 11 2 0
11 16 1 0
12 13 1 0
13 14 1 0
13 16 2 0
14 15 1 0
14 17 2 0
15 20 1 0
15 22 1 0
17 18 1 0
18 19 2 0
20 21 1 0
22 23 1 0
24 12 1 0
24 18 1 0
24 25 1 0
4 26 1 0
26 27 2 0
27 28 1 0
28 29 2 0
29 1 1 0
17 30 1 0
30 31 2 0
30 32 1 0
11 33 1 0
33 34 3 0
M CHG 4 30 1 32 -1 33 1 34 -1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 30 31 32
M SBL 1 1 34
M SMT 1 NO2
M SBV 1 34 -0.7145 0.4125
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 37
M SMT 2 N^C
M SBV 2 37 0.7145 0.4125
M END
|
|
US20200345804A1-20201105-C00136
|
00272001.cdx
ChemDraw10032010592D
38 41 0 0 0 0 0 0 0 0999 V2000
1.8237 1.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2989 0.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0675 0.6929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7896 1.0842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2989 1.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0815 1.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7942 1.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4930 1.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4930 0.6929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7942 0.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6918 2.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4744 2.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4883 1.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2306 1.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5800 1.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9992 2.5376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7197 1.1261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7104 -1.1937 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1514 -0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3548 -0.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3889 0.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8098 -0.1177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1032 -1.5431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7477 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0629 -1.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3005 -2.0462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6079 -0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3905 -0.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6560 -1.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1110 -2.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9992 -0.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4821 0.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3424 0.1619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4930 -0.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4386 -1.7947 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.6376 -1.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2396 -2.5376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1816 -1.9937 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 4 1 0
1 5 1 0
2 3 1 0
3 10 1 0
3 6 2 0
4 15 1 0
5 6 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
11 12 1 0
11 14 1 0
12 13 1 0
13 17 1 0
14 15 1 0
14 17 1 0
15 16 2 0
17 32 1 0
18 19 1 0
18 34 1 0
19 20 1 0
19 21 1 1
20 22 1 0
20 23 2 0
22 31 1 0
24 25 1 0
31 24 1 6
25 26 2 0
25 27 1 0
26 30 1 0
27 28 2 0
28 29 1 0
29 30 2 0
31 32 1 0
32 33 2 0
29 35 1 0
35 36 2 0
35 37 2 0
35 38 1 0
M CHG 1 38 -1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 4 35 36 37 38
M SBL 1 1 38
M SMT 1 SO\s3
M SBV 1 38 -0.7826 0.2096
M END
|
|
US20210040142A1-20210211-C00166
|
00168001.cdx
ChemDraw01142112112D
45 50 0 0 0 0 0 0 0 0999 V2000
-2.5868 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5868 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8723 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1578 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1578 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8723 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3012 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0157 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0157 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3012 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7302 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7137 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5868 -2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4433 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4433 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1578 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8723 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1578 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1578 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2711 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9856 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9856 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2711 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4433 1.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4433 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7001 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7001 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9856 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2711 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2711 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5731 2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3981 2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7001 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7001 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4847 -1.0799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9696 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4847 0.2549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7946 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2071 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8887 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7302 -0.4125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
-5.4446 0.0000 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0
5.0321 0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4446 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 1 1 0
1 7 1 0
7 8 2 0
8 9 1 0
9 10 1 0
10 2 1 0
9 11 2 0
10 12 1 0
2 13 1 6
1 14 1 1
5 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
18 6 2 0
5 19 1 1
17 20 2 0
15 21 1 0
21 22 1 0
22 23 1 0
23 24 1 0
24 16 1 0
16 25 1 1
15 26 1 6
23 27 1 0
27 28 1 0
28 29 1 0
29 30 1 0
30 24 1 0
24 31 1 1
29 32 1 0
29 33 1 0
23 34 1 1
34 35 1 0
35 36 1 0
36 37 2 0
37 38 1 0
38 34 2 0
37 39 1 0
39 40 1 0
10 41 1 0
8 42 1 0
42 43 3 0
40 44 1 0
44 45 1 0
M CHG 2 42 1 43 -1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 42 43
M SBL 1 1 47
M SMT 1 N^C
M SBV 1 47 0.7145 -0.4125
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 44 45
M SBL 2 1 49
M SMT 2 OMe
M SBV 2 49 -0.8250 0.0000
M END
|
|
US20180064692A1-20180308-C00801
|
00821001.cdx
ChemDraw01241821482D
25 27 0 0 0 0 0 0 0 0999 V2000
-1.2094 1.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2094 0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3844 0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3844 1.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7928 2.0558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1990 2.0558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1990 0.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7928 0.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5896 0.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1730 -0.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9595 -1.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1626 -1.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5792 -0.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0146 -0.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5688 -1.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3657 -1.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5792 -0.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9959 0.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5428 -1.6860 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1.2094 1.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9491 -1.6860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7460 -1.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5428 -1.2589 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.9595 -0.6756 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.3293 -2.0558 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 1 1 0
1 5 2 0
4 6 2 0
3 7 1 0
2 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 8 1 0
7 14 2 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 7 1 0
11 19 1 0
18 20 1 0
16 21 1 0
21 22 1 0
22 23 1 0
22 24 1 0
22 25 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 5 21 22 23 24 25
M SBL 1 1 23
M SMT 1 OCF3
M SBV 1 23 -0.5834 0.5834
M END
|
|
US20140206640A1-20140724-C00413
|
00428001.cdx
ChemDraw06171415352D
32 36 0 0 0 0 0 0 0 0999 V2000
0.0384 -1.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8634 -1.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1183 -0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4509 -0.1457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2166 -0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6884 -1.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0135 -0.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5968 -1.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5450 -1.9986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3419 -1.7850 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
-2.1669 -1.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3419 -2.6100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9211 -0.9332 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7461 -0.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1586 -0.2187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7461 0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9211 0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5086 -0.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1586 -1.6477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3691 1.1088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6154 0.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7017 -0.0472 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9919 -1.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5753 -1.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1586 -1.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5753 -2.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1586 1.2102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1586 2.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7461 1.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0769 -2.2121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8738 -2.4256 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
2.6707 -2.6391 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 1 1 0
2 6 1 1
5 7 1 1
7 8 1 0
1 9 1 6
9 10 1 0
10 8 1 0
10 11 1 0
11 23 1 0
10 12 2 0
3 22 1 1
13 14 2 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 13 1 0
14 19 1 0
17 20 1 0
20 21 2 0
21 22 1 0
22 18 1 0
23 24 1 0
24 25 1 0
25 26 1 0
26 23 1 0
16 27 1 0
27 29 1 0
28 29 1 0
30 31 2 0
31 32 2 0
2 30 1 6
M CHG 2 31 1 32 -1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 27 28 29
M SBL 1 1 31
M SMT 1 OEt
M SBV 1 31 -0.4125 -0.7145
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 3 30 31 32
M SBL 2 1 36
M SMT 2 N3
M SBV 2 36 -0.2135 0.7969
M END
|
|
US20190337910A1-20191107-C00063
|
00085001.cdx
ChemDraw10071911522D
27 28 0 0 0 0 0 0 0 0999 V2000
-1.1270 0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1270 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4125 -1.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3020 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3020 0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4125 0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0164 0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8414 0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 1.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5559 0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2704 0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8414 -1.1822 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.5559 -0.7697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.2704 -1.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9849 -0.7697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9849 0.0553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5559 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8414 -1.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2704 -1.1822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2539 -1.8967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -1.8967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9849 0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9849 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6993 -1.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0164 1.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8414 1.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6993 0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
7 5 1 1
7 8 1 0
8 9 1 0
9 7 1 0
8 10 1 6
10 11 2 0
2 12 1 0
12 13 1 0
13 14 2 0
14 15 1 0
11 16 1 0
10 17 1 0
17 18 2 0
17 19 1 0
12 20 2 0
12 21 2 0
15 22 1 0
16 23 1 0
15 24 1 0
9 25 1 0
9 26 1 0
16 27 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 1 22
M SBL 1 1 23
M SMT 1 Me
M SBV 1 23 0.0000 -0.8250
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 1 23
M SBL 2 1 24
M SMT 2 Me
M SBV 2 24 0.0000 0.8250
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 1 24
M SBL 3 1 25
M SMT 3 M^e
M SBV 3 25 0.7145 0.4125
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 1 25
M SBL 4 1 26
M SMT 4 M^e
M SBV 4 26 0.4125 -0.7145
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 1 26
M SBL 5 1 27
M SMT 5 Me
M SBV 5 27 -0.4125 -0.7145
M STY 1 6 SUP
M SLB 1 6 6
M SAL 6 1 27
M SBL 6 1 28
M SMT 6 Me
M SBV 6 28 -0.7145 -0.4125
M END
|
|
US20210236476A1-20210805-C00332
|
00377001.cdx
ChemDraw07132110532D
56 62 0 0 0 0 0 0 0 0999 V2000
-4.3301 -0.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8197 -0.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1224 -0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6120 -0.8978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9147 -0.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4042 -1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7070 -1.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5201 -0.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0306 0.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7278 -0.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5911 -1.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6323 -1.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6323 -1.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9457 -0.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5214 -1.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9457 -2.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1965 -1.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4901 -2.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0658 -2.7885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6521 -2.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2574 -2.1914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8826 -1.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5077 -2.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1329 -1.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1329 -1.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5077 -0.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8826 -1.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5077 -2.9133 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
4.7581 -0.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3832 -1.1086 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0084 -0.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5077 -0.0258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8826 0.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8826 1.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0274 -0.2506 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5077 1.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5077 2.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8826 2.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2574 2.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2574 1.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5378 0.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2351 0.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4220 -0.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9115 -1.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2142 -0.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1192 -0.4374 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-6.9324 -1.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0084 -0.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6949 -0.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1192 -0.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6949 0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8818 -1.6680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1329 2.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7581 2.8617 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6323 2.5008 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
0.9178 2.9133 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0
35 1 1 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 5 1 0
6 11 1 0
7 17 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 12 1 0
15 17 2 0
17 18 1 0
18 19 2 0
19 20 1 0
20 16 2 0
12 21 1 6
21 22 1 0
22 23 2 0
23 24 1 0
24 25 2 0
25 26 1 0
26 27 2 0
27 22 1 0
23 28 1 0
25 29 1 0
29 30 1 0
31 30 1 6
26 32 1 0
32 33 1 0
33 34 1 0
34 36 2 0
36 37 1 0
37 38 2 0
38 39 1 0
39 40 2 0
40 34 1 0
35 41 1 0
41 42 1 0
42 43 1 0
43 44 1 0
44 45 1 0
45 35 1 0
43 46 1 0
43 47 1 0
31 48 1 0
31 49 1 0
49 50 1 0
50 51 1 0
51 48 1 0
49 52 1 1
37 53 1 0
53 54 3 0
39 55 1 0
55 56 3 0
M CHG 2 55 1 56 -1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 53 54
M SBL 1 1 59
M SMT 1 CN
M SBV 1 59 -0.6252 -0.3609
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 55 56
M SBL 2 1 61
M SMT 2 N^C
M SBV 2 61 0.6252 -0.3609
M END
|
End of preview. Expand
in Data Studio
USPTO-30K
USPTO-30K is the benchmark dataset introduced in MolGrapher: Graph-based Visual Recognition of Chemical Structures.
Existing benchmarks for Optical Chemical Structure Recognition have some limitations. Being created using only a few documents, they contain batches of very similar molecules. For example in a patent, a molecule could typically be displayed together with all the substituent of one particular substructure, resulting in large batches of almost identical molecules. Additionally, the existing sets contain molecules of different kinds, including superatom groups and various markush features, which should be evaluated independently. In practice, it is important to delimit on which types of molecules models can be applied.
We introduce USPTO-30K, a large-scale benchmark dataset of annotated molecule images, which overcomes these limitations. It is created using the pairs of images and MolFiles by the United States Patent and Trademark Office. Each molecule was independently selected among all the available documents from 2001 to 2020. The set consists of three subsets to decouple the study of clean molecules, molecules with abbreviations and large molecules.
- USPTO-10K contains 10,000 clean molecules, i.e. without any abbreviated groups.
- USPTO-10K-abb contains 10,000 molecules with superatom groups.
- USPTO-10K-L contains 10,000 clean molecules with more than 70 atoms.
- Downloads last month
- 43
Size of downloaded dataset files:
291 MB
Size of the auto-converted Parquet files:
291 MB
Number of rows:
30,000