Datasets:
hheiden
/
USPTO_OCSR_benchmark

Dataset card Data Studio Files
xet
Community
id
stringlengths
26
26
image
imagewidth (px)
118
1.88k
mol
stringlengths
951
16k
smiles
stringlengths
12
280
⌀
selfies
stringlengths
42
1.15k
⌀
inchi
stringlengths
45
896
⌀
US07314693-20080101-C00476
00237001.cdx ChemDraw10240710092D 13 13 0 0 0 0 0 0 0 0999 V2000 -3.2248 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5103 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5103 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5103 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5103 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0813 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2248 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0048 0.8250 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 2.1482 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2248 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 4 0 9 2 4 0 2 7 4 0 7 3 4 0 3 4 4 0 4 1 4 0 4 5 1 0 2 6 1 0 3 8 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 M END
C=CC=CCc1cc(O)ccc1O
[C][=C][C][=C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O]
InChI=1S/C11H12O2/c1-2-3-4-5-9-8-10(12)6-7-11(9)13/h2-4,6-8,12-13H,1,5H2
US07314693-20080101-C00481
00242001.cdx ChemDraw10240710102D 16 16 0 0 0 0 0 0 0 0999 V2000 -2.5607 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8463 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1318 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8463 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8463 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8463 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1318 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4173 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5607 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6592 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4173 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4173 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7357 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7357 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7357 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5607 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 4 0 9 2 4 0 2 7 4 0 7 3 4 0 3 4 4 0 4 1 4 0 4 5 1 0 2 6 1 0 3 8 1 0 8 10 1 0 8 11 1 0 8 12 1 0 10 13 1 0 13 14 1 0 13 15 1 0 13 16 1 0 M END
CC(C)(C)CC(C)(C)c1cc(O)ccc1O
[C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O]
InChI=1S/C14H22O2/c1-13(2,3)9-14(4,5)11-8-10(15)6-7-12(11)16/h6-8,15-16H,9H2,1-5H3
US07314693-20080101-C00493
0254.cdx ChemDraw05060514122D 22 24 0 0 0 0 0 0 0 0999 V2000 -0.7145 0.4125 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 0.7145 0.4125 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 0.0000 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 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 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5055 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7430 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1555 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7430 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7430 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9180 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5055 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9180 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7430 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1555 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6805 -0.8250 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 1 22 4 0 22 2 4 0 2 7 4 0 7 3 4 0 3 4 4 0 4 1 4 0 4 5 1 0 2 6 1 0 3 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 9 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 15 1 0 17 21 1 0 21 22 1 0 M END
Oc1cc(CN2CCOCC2)c(O)cc1CN1CCOCC1
[O][C][=C][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][C][O][C][=C][Ring1][=C][C][N][C][C][O][C][C][Ring1][=Branch1]
InChI=1S/C16H24N2O4/c19-15-10-14(12-18-3-7-22-8-4-18)16(20)9-13(15)11-17-1-5-21-6-2-17/h9-10,19-20H,1-8,11-12H2
US07314693-20080101-C00494
0255.cdx ChemDraw05060514132D 22 24 0 0 0 0 0 0 0 0999 V2000 -0.7145 0.4125 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 0.7145 0.4125 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 0.0000 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 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 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5055 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7430 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1555 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7430 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7430 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9180 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5055 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9180 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7430 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1555 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6805 -0.8250 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 1 22 4 0 22 2 4 0 2 7 4 0 7 3 4 0 3 4 4 0 4 1 4 0 4 5 1 0 2 6 1 0 3 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 9 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 15 1 0 17 21 1 0 21 22 1 0 M END
Oc1cc(CN2CCCCC2)c(O)cc1CN1CCCCC1
[O][C][=C][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][=C][Branch1][C][O][C][=C][Ring1][=C][C][N][C][C][C][C][C][Ring1][=Branch1]
InChI=1S/C18H28N2O2/c21-17-12-16(14-20-9-5-2-6-10-20)18(22)11-15(17)13-19-7-3-1-4-8-19/h11-12,21-22H,1-10,13-14H2
US07314693-20080101-C00496
0257.cdx ChemDraw05060514232D 22 18 0 0 0 0 0 0 0 0999 V2000 -4.0945 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0180 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5547 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5887 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1258 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8402 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8402 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1258 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5887 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1258 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1258 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5547 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6312 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0945 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6264 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9119 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1975 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3143 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3281 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3281 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3143 0.8250 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 4 0 5 6 4 0 6 7 4 0 7 8 4 0 8 9 4 0 9 4 4 0 8 10 1 0 5 11 1 0 7 12 1 0 12 13 1 0 13 14 1 0 12 16 1 0 15 16 1 0 3 18 1 0 17 18 1 0 A 19 ( A 20 ) A 21 ( A 22 ) M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 15 16 M SBL 1 1 15 M SMT 1 C2H5 M SBV 1 15 -3.8608 15.6363 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 17 18 M SBL 2 1 17 M SMT 2 C2H5 M SBV 2 17 -3.8608 15.6363 M END
C.C.C.C.CCC(CC)c1cc(O)c(C(CC)CC)cc1O
[C].[C].[C].[C].[C][C][C][Branch1][Ring1][C][C][C][=C][C][Branch1][C][O][=C][Branch1][Branch2][C][Branch1][Ring1][C][C][C][C][C][=C][Ring1][N][O]
InChI=1S/C16H26O2.4CH4/c1-5-11(6-2)13-9-16(18)14(10-15(13)17)12(7-3)8-4;;;;/h9-12,17-18H,5-8H2,1-4H3;4*1H4
US07314693-20080101-C00497
0258.cdx ChemDraw05060514282D 32 28 0 0 0 0 0 0 0 0999 V2000 -5.4884 -1.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4119 -0.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3709 -1.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3709 -0.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6564 -0.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0581 -1.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7726 -0.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7726 0.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0581 0.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6564 0.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0581 1.4560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0581 -1.8440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 0.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 1.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4884 0.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2200 1.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4347 -0.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0222 -1.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1972 -1.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7847 -0.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5587 0.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8443 0.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2991 -1.6378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0136 -1.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1343 1.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9208 1.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5041 0.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3120 0.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7160 -1.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9606 -1.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9994 0.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7935 0.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 3 5 1 0 5 6 4 0 6 7 4 0 7 8 4 0 8 9 4 0 9 10 4 0 10 5 4 0 9 11 1 0 6 12 1 0 8 13 1 0 13 14 1 0 1 17 1 0 2 17 1 0 3 20 1 0 17 18 1 0 18 19 1 0 19 20 1 0 13 22 1 0 21 22 1 0 3 24 1 0 23 24 1 0 13 25 1 0 15 28 1 0 16 28 1 0 25 26 1 0 26 27 1 0 27 28 1 0 A 29 ( A 30 ) A 31 ( A 32 ) M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 17 18 19 20 M SBL 1 3 13 14 15 M SMT 1 CHCH2CH2CH2 M SBV 1 13 -4.5583 17.3052 M SBV 1 14 -5.6348 16.4802 M SBV 1 15 -7.0259 17.3052 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 19 M SMT 2 C2H5 M SBV 2 19 -5.2548 16.6411 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 23 24 M SBL 3 1 21 M SMT 3 C2H5 M SBV 3 21 -5.2548 16.6411 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 4 25 26 27 28 M SBL 4 3 23 24 25 M SMT 4 CH2CH2CH2CH M SBV 4 23 -5.9648 18.0604 M SBV 4 24 -8.7884 16.8474 M SBV 4 25 -7.5200 16.0224 M END
C.C.C.C.CCC(C)(CCCC(C)C)c1cc(O)c(C(C)(CC)CCCC(C)C)cc1O
[C].[C].[C].[C].[C][C][C][Branch1][C][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][C][=C][C][Branch1][C][O][=C][Branch1][P][C][Branch1][C][C][Branch1][Ring1][C][C][C][C][C][C][Branch1][C][C][C][C][=C][Ring1][P][O]
InChI=1S/C26H46O2.4CH4/c1-9-25(7,15-11-13-19(3)4)21-17-24(28)22(18-23(21)27)26(8,10-2)16-12-14-20(5)6;;;;/h17-20,27-28H,9-16H2,1-8H3;4*1H4
US07314693-20080101-C00498
0259.cdx ChemDraw05060514322D 18 18 0 0 0 0 0 0 0 0999 V2000 -3.5001 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9126 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9126 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2089 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2089 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4944 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4944 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9345 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4944 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4944 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0876 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9126 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0876 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6751 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2626 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 5 4 0 5 6 4 0 6 7 4 0 7 8 4 0 8 9 4 0 9 4 4 0 8 10 1 0 9 11 1 0 6 12 1 0 10 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 1 17 2 0 4 18 1 0 17 18 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 17 18 M SBL 1 2 16 17 M SMT 1 CHCH2 M SBV 1 16 -3.4970 18.5174 M SBV 1 17 -5.3757 18.2154 M END
CC(C)=CCc1cc(O)cc(CC=C(C)C)c1O
[C][C][Branch1][C][C][=C][C][C][=C][C][Branch1][C][O][=C][C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][=C][Ring1][N][O]
InChI=1S/C16H22O2/c1-11(2)5-7-13-9-15(17)10-14(16(13)18)8-6-12(3)4/h5-6,9-10,17-18H,7-8H2,1-4H3
US07314693-20080101-C00502
0263.cdx ChemDraw05060514542D 13 14 0 0 0 0 0 0 0 0999 V2000 -1.7391 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7391 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0247 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3102 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3102 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0247 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0247 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0247 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7391 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 1.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6592 1.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4043 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 6 7 1 0 3 8 1 0 5 13 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 9 1 0 M END
Oc1ccc(O)c(C2C=CCC2)c1
[O][C][=C][C][=C][Branch1][C][O][C][Branch1][Branch2][C][C][=C][C][C][Ring1][Branch1][=C][Ring1][N]
InChI=1S/C11H12O2/c12-9-5-6-11(13)10(7-9)8-3-1-2-4-8/h1,3,5-8,12-13H,2,4H2
US07314693-20080101-C00503
0264.cdx ChemDraw05060514552D 13 14 0 0 0 0 0 0 0 0999 V2000 -1.7391 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7391 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0247 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3102 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3102 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0247 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0247 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0247 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7391 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 1.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6592 1.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4043 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 6 7 1 0 3 8 1 0 5 13 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 9 1 0 M END
Oc1ccc(O)c(C2CCCC2)c1
[O][C][=C][C][=C][Branch1][C][O][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][=C][Ring1][N]
InChI=1S/C11H14O2/c12-9-5-6-11(13)10(7-9)8-3-1-2-4-8/h5-8,12-13H,1-4H2
US07314693-20080101-C00514
00275001.cdx ChemDraw10240710352D 18 18 0 0 0 0 0 0 0 0999 V2000 -1.3633 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6488 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6488 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3633 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3633 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3633 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0777 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0777 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7922 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0657 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7922 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8907 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0657 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0657 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9672 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7922 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9672 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9672 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7 1 4 0 1 2 4 0 2 3 4 0 3 4 4 0 4 8 4 0 8 7 4 0 4 5 1 0 1 6 1 0 7 9 1 0 3 10 1 0 8 11 1 0 10 12 1 0 10 13 1 0 10 14 1 0 12 15 1 0 15 16 1 0 15 17 1 0 15 18 1 0 M END
Cc1c(O)cc(C(C)(C)CC(C)(C)C)c(O)c1C
[C][C][=C][Branch1][C][O][C][=C][Branch1][P][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][O][=C][Ring1][S][C]
InChI=1S/C16H26O2/c1-10-11(2)14(18)12(8-13(10)17)16(6,7)9-15(3,4)5/h8,17-18H,9H2,1-7H3
US07314693-20080101-C00515
00276001.cdx ChemDraw10240710362D 18 18 0 0 0 0 0 0 0 0999 V2000 -1.3633 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6488 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6488 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3633 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3633 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3633 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0777 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0777 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7922 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0657 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8907 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0657 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0657 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9672 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7922 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9672 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9672 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0657 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7 1 4 0 1 2 4 0 2 3 4 0 3 4 4 0 4 8 4 0 8 7 4 0 4 5 1 0 1 6 1 0 7 9 1 0 3 10 1 0 10 11 1 0 10 12 1 0 10 13 1 0 11 14 1 0 14 15 1 0 14 16 1 0 14 17 1 0 2 18 1 0 M END
Cc1cc(O)c(C(C)(C)CC(C)(C)C)c(C)c1O
[C][C][=C][C][Branch1][C][O][=C][Branch1][P][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][=C][Ring1][S][O]
InChI=1S/C16H26O2/c1-10-8-12(17)13(11(2)14(10)18)16(6,7)9-15(3,4)5/h8,17-18H,9H2,1-7H3
US07314693-20080101-C00518
0279.cdx ChemDraw05060515472D 15 15 0 0 0 0 0 0 0 0999 V2000 -1.2828 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5683 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5683 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2828 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2828 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2828 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9972 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9972 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1462 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7117 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1462 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2227 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2992 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7117 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7117 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7 1 4 0 1 2 4 0 2 3 4 0 3 4 4 0 4 8 4 0 8 7 4 0 4 5 1 0 1 6 1 0 3 9 1 0 7 10 1 0 2 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 M END
CC(C)=CCc1c(C)c(O)cc(C)c1O
[C][C][Branch1][C][C][=C][C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][C][Branch1][C][C][=C][Ring1][=Branch2][O]
InChI=1S/C13H18O2/c1-8(2)5-6-11-10(4)12(14)7-9(3)13(11)15/h5,7,14-15H,6H2,1-4H3
US07314693-20080101-C00519
0280.cdx ChemDraw05060515492D 15 15 0 0 0 0 0 0 0 0999 V2000 -1.2828 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5683 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2828 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2828 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2828 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9972 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9972 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7117 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5683 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1462 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2227 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2992 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7117 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7117 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1462 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 1 4 0 1 2 4 0 2 9 4 0 9 3 4 0 3 7 4 0 7 6 4 0 3 4 1 0 1 5 1 0 6 8 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 2 15 1 0 M END
CC(C)=CCc1c(O)cc(C)c(O)c1C
[C][C][Branch1][C][C][=C][C][C][=C][Branch1][C][O][C][=C][Branch1][C][C][C][Branch1][C][O][=C][Ring1][=Branch2][C]
InChI=1S/C13H18O2/c1-8(2)5-6-11-10(4)13(15)9(3)7-12(11)14/h5,7,14-15H,6H2,1-4H3
US07314693-20080101-C00520
0281.cdx ChemDraw05090513372D 14 14 0 0 0 0 0 0 0 0999 V2000 -0.9508 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2363 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9508 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9508 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9508 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6652 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6652 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3797 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2363 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4782 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4782 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5547 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5547 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3797 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 1 4 0 1 2 4 0 2 9 4 0 9 3 4 0 3 7 4 0 7 6 4 0 3 4 1 0 1 5 1 0 6 8 1 0 9 10 1 0 2 11 1 0 11 12 1 0 12 13 1 0 12 14 2 0 M END
C=C(C)Cc1c(C)c(O)cc(C)c1O
[C][=C][Branch1][C][C][C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][C][Branch1][C][C][=C][Ring1][=Branch2][O]
InChI=1S/C12H16O2/c1-7(2)5-10-9(4)11(13)6-8(3)12(10)14/h6,13-14H,1,5H2,2-4H3
US07314693-20080101-C00523
0284.cdx ChemDraw05090513472D 16 14 0 0 0 0 0 0 0 0999 V2000 -1.4530 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7385 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1675 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1675 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7385 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0241 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0241 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8009 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0476 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3332 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5077 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4841 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 1 4 0 1 2 4 0 2 8 4 0 8 3 4 0 3 7 4 0 7 6 4 0 3 4 1 0 1 5 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 9 14 1 0 13 14 1 0 A 15 ( A 16 ) M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 13 14 M SBL 1 1 13 M SMT 1 C2H5 M SBV 1 13 -1.8283 19.2204 M END
C.C.CCC(C)(CC)c1cc(O)ccc1O
[C].[C].[C][C][C][Branch1][C][C][Branch1][Ring1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O]
InChI=1S/C12H18O2.2CH4/c1-4-12(3,5-2)10-8-9(13)6-7-11(10)14;;/h6-8,13-14H,4-5H2,1-3H3;2*1H4
US07314693-20080101-C00527
00288001.cdx ChemDraw10240710442D 15 15 0 0 0 0 0 0 0 0999 V2000 -2.2455 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2455 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8165 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8165 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2455 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1704 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1021 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6124 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4486 -1.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8652 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0741 -1.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 6 7 1 0 3 8 1 0 5 11 1 0 11 12 1 0 4 13 1 0 9 15 1 0 10 15 1 0 13 14 1 0 14 15 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 11 12 M SBL 1 1 9 M SMT 1 CH2OH M SBV 1 9 -1.5491 18.4143 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 13 14 15 M SBL 2 3 11 12 13 M SMT 2 CH2CH2CH M SBV 2 11 0.0016 17.3476 M SBV 2 12 -4.4349 17.4108 M SBV 2 13 -3.3598 18.2358 M END
CC(C)CCc1c(O)ccc(O)c1CO
[C][C][Branch1][C][C][C][C][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][O]
InChI=1S/C12H18O3/c1-8(2)3-4-9-10(7-13)12(15)6-5-11(9)14/h5-6,8,13-15H,3-4,7H2,1-2H3
US07314693-20080101-C00528
0289.cdx ChemDraw05090514002D 17 19 0 0 0 0 0 0 0 0999 V2000 -1.9520 -0.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 -0.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -1.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -0.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -0.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 0.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 1.1970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -2.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 2.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -0.0405 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0164 -0.4530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 -0.4530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 6 7 1 0 3 8 1 0 5 15 1 0 9 10 4 0 10 11 4 0 11 12 4 0 12 13 4 0 13 14 4 0 14 9 4 0 10 15 1 0 15 16 1 0 16 17 2 0 17 11 1 0 M END
Oc1ccc(O)c(-n2nnc3ccccc32)c1
[O][C][=C][C][=C][Branch1][C][O][C][Branch1][=C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring1][S]
InChI=1S/C12H9N3O2/c16-8-5-6-12(17)11(7-8)15-10-4-2-1-3-9(10)13-14-15/h1-7,16-17H
US07314693-20080101-C00529
00290001.cdx ChemDraw10240710452D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.2692 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2692 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5547 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8402 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8402 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5547 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5547 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5547 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1258 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8402 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8402 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5547 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2692 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2692 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5547 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5547 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5547 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 6 7 1 0 3 8 1 0 5 9 1 0 9 10 1 0 10 11 4 0 11 12 4 0 12 13 4 0 13 14 4 0 14 15 4 0 15 10 4 0 15 16 1 0 12 17 1 0 M END
Oc1ccc(O)c(Cc2cc(O)ccc2O)c1
[O][C][=C][C][=C][Branch1][C][O][C][Branch1][=C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O][=C][Ring1][S]
InChI=1S/C13H12O4/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,14-17H,5H2
US07314693-20080101-C00530
00291001.cdx ChemDraw10240710462D 21 22 0 0 0 0 0 0 0 0999 V2000 -2.4478 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4478 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0189 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0189 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3044 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6616 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6616 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3761 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0906 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0906 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3761 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3761 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3761 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4478 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1623 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4478 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1623 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 6 7 1 0 3 8 1 0 5 9 1 0 9 10 1 0 10 11 4 0 11 12 4 0 12 13 4 0 13 14 4 0 14 15 4 0 15 10 4 0 15 16 1 0 12 17 1 0 13 18 1 0 18 19 1 0 2 21 1 0 20 21 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 19 M SMT 1 OCH3 M SBV 1 19 -3.5764 16.6592 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 20 21 M SBL 2 1 21 M SMT 2 CH3O M SBV 2 21 -4.6481 16.8655 M END
COc1cc(O)c(Cc2cc(O)c(OC)cc2O)cc1O
[C][O][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][C][C][C][=C][C][Branch1][C][O][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][O][C][=C][Ring2][Ring1][C][O]
InChI=1S/C15H16O6/c1-20-14-6-10(16)8(4-12(14)18)3-9-5-13(19)15(21-2)7-11(9)17/h4-7,16-19H,3H2,1-2H3
US07314693-20080101-C00532
0293.cdx Mrv0541 08031215352D 16 17 0 0 0 0 999 V2000 -1.4289 0.2062 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 -0.7145 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6188 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 C 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 -0.7145 -1.8563 0.0000 O 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 -2.1434 -1.0313 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 0.7145 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 0 0 0 2 3 4 0 0 0 0 3 4 4 0 0 0 0 4 5 4 0 0 0 0 5 6 4 0 0 0 0 6 1 4 0 0 0 0 6 7 1 0 0 0 0 3 8 1 0 0 0 0 5 9 1 0 0 0 0 2 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 9 1 0 0 0 0 9 16 1 0 0 0 0 M END
Cc1cc(O)c(C2(C)CCCCC2)cc1O
[C][C][=C][C][Branch1][C][O][=C][Branch1][N][C][Branch1][C][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][=C][O]
InChI=1S/C14H20O2/c1-10-8-13(16)11(9-12(10)15)14(2)6-4-3-5-7-14/h8-9,15-16H,3-7H2,1-2H3
US07314693-20080101-C00537
0298.cdx ChemDraw05090514282D 19 20 0 0 0 0 0 0 0 0999 V2000 -3.3758 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3758 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6613 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9469 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9469 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6613 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6613 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6613 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1219 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7258 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1383 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9633 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3758 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9633 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1383 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1371 0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7246 0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1004 0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5129 0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 6 7 1 0 3 8 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 5 16 1 0 9 16 1 0 10 19 1 0 16 17 1 0 17 18 1 0 18 19 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 16 17 18 19 M SBL 1 3 15 16 17 M SMT 1 CHCH2CH2CH2 M SBV 1 15 -2.5841 15.7453 M SBV 1 16 -3.4091 14.9203 M SBV 1 17 -4.6068 15.7453 M END
CC(CCCN1CCCCC1)c1cc(O)ccc1O
[C][C][Branch1][N][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O]
InChI=1S/C16H25NO2/c1-13(15-12-14(18)7-8-16(15)19)6-5-11-17-9-3-2-4-10-17/h7-8,12-13,18-19H,2-6,9-11H2,1H3
US07314693-20080101-C00538
0299.cdx ChemDraw05090514392D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4289 0.4125 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 -0.7145 -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 0.0000 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 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.6500 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 -2.1434 -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 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 0.7145 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 0.1105 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 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 6 7 1 0 3 8 1 0 5 9 1 0 2 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 14 9 1 0 14 13 1 0 9 15 1 0 11 16 1 0 11 17 1 0 M END
Cc1cc(O)c(C2(C)CCCC2(C)C)cc1O
[C][C][=C][C][Branch1][C][O][=C][Branch1][#C][C][Branch1][C][C][C][C][C][C][Ring1][=Branch1][Branch1][C][C][C][C][=C][Ring1][#C][O]
InChI=1S/C15H22O2/c1-10-8-13(17)11(9-12(10)16)15(4)7-5-6-14(15,2)3/h8-9,16-17H,5-7H2,1-4H3
US07314693-20080101-C00549
0310.cdx ChemDraw05090515302D 20 22 0 0 0 0 0 0 0 0999 V2000 -0.7145 0.4125 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 0.0000 -0.8250 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 0.4125 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 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 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 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.6500 0.0000 O 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 1.4289 1.6500 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 -2.8579 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.6500 0.0000 O 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 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 2 7 1 0 5 8 1 0 6 9 1 0 3 10 1 0 8 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 8 1 0 7 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 7 1 0 M END
Oc1cc(N2CCOCC2)c(O)cc1N1CCOCC1
[O][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][C][O][C][=C][Ring1][=N][N][C][C][O][C][C][Ring1][=Branch1]
InChI=1S/C14H20N2O4/c17-13-10-12(16-3-7-20-8-4-16)14(18)9-11(13)15-1-5-19-6-2-15/h9-10,17-18H,1-8H2
US07314693-20080101-C00550
0311.cdx ChemDraw05090515302D 20 22 0 0 0 0 0 0 0 0999 V2000 -0.7145 0.4125 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 0.0000 -0.8250 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 0.4125 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 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 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 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.6500 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 1.4289 1.6500 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 -2.8579 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.6500 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 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 2 7 1 0 5 8 1 0 6 9 1 0 3 10 1 0 8 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 8 1 0 7 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 7 1 0 M END
Oc1cc(N2CCCCC2)c(O)cc1N1CCCCC1
[O][C][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=C][Branch1][C][O][C][=C][Ring1][=N][N][C][C][C][C][C][Ring1][=Branch1]
InChI=1S/C16H24N2O2/c19-15-12-14(18-9-5-2-6-10-18)16(20)11-13(15)17-7-3-1-4-8-17/h11-12,19-20H,1-10H2
US07314693-20080101-C00554
0315.cdx ChemDraw05090515402D 22 22 0 0 0 0 0 0 0 0999 V2000 -0.5599 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5599 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5599 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1546 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5835 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5835 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1546 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2980 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2980 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2980 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9644 -0.5762 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.2499 -0.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5355 -0.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8210 -0.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5355 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2499 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9644 0.1105 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 4 5 4 0 5 6 4 0 6 7 4 0 7 8 4 0 8 9 4 0 9 4 4 0 8 10 1 0 5 11 1 0 7 12 1 0 12 13 1 0 12 14 1 0 1 18 1 0 15 16 1 0 16 17 1 0 17 18 1 0 12 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 15 16 17 18 M SBL 1 1 15 M SMT 1 ClCH2CH2CH2 M SBV 1 15 -5.6325 16.7810 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 19 20 21 22 M SBL 2 1 19 M SMT 2 CH2CH2CH2Cl M SBV 2 19 -2.8483 16.6428 M END
CC(C)(CCCCl)c1cc(O)c(C(C)(C)CCCCl)cc1O
[C][C][Branch1][C][C][Branch1][Branch1][C][C][C][Cl][C][=C][C][Branch1][C][O][=C][Branch1][N][C][Branch1][C][C][Branch1][C][C][C][C][C][Cl][C][=C][Ring1][=C][O]
InChI=1S/C18H28Cl2O2/c1-17(2,7-5-9-19)13-11-16(22)14(12-15(13)21)18(3,4)8-6-10-20/h11-12,21-22H,5-10H2,1-4H3
US07314693-20080101-C00555
0316.cdx ChemDraw05090515432D 24 26 0 0 0 0 0 0 0 0999 V2000 -0.7145 0.4125 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 0.0000 -0.8250 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 0.4125 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 -0.8250 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 0.0000 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 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 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.6500 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 1.4289 1.6500 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 -2.8579 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.6500 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 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.0625 0.0000 O 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 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 2 7 1 0 5 8 1 0 6 9 1 0 3 10 1 0 8 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 8 1 0 7 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 7 1 0 13 21 2 0 8 22 1 0 7 23 1 0 18 24 2 0 M END
CC1(c2cc(O)c(C3(C)CCC(=O)CC3)cc2O)CCC(=O)CC1
[C][C][Branch2][Ring1][=N][C][=C][C][Branch1][C][O][=C][Branch1][#C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][C][C][Ring1][Branch2][C][=C][Ring1][#C][O][C][C][C][=Branch1][C][=O][C][C][Ring2][Ring1][#Branch1]
InChI=1S/C20H26O4/c1-19(7-3-13(21)4-8-19)15-11-18(24)16(12-17(15)23)20(2)9-5-14(22)6-10-20/h11-12,23-24H,3-10H2,1-2H3
US07314693-20080101-C00556
0317.cdx ChemDraw05090515512D 30 32 0 0 0 0 0 0 0 0999 V2000 -4.8547 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7782 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3657 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5407 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1282 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5407 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3657 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7782 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3032 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5887 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3032 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3032 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1258 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8402 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8402 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1258 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5887 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1258 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1258 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5547 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3797 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5547 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5547 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7922 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6172 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0297 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6172 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7922 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8547 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0297 -0.6039 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 1 0 5 6 1 0 6 7 1 0 7 2 1 0 7 8 2 0 5 9 1 0 9 10 1 0 9 11 1 0 9 12 1 0 10 13 4 0 13 14 4 0 14 15 4 0 15 16 4 0 16 17 4 0 17 10 4 0 16 18 1 0 13 19 1 0 15 20 1 0 20 21 1 0 20 22 1 0 20 23 1 0 21 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 21 1 0 26 29 1 0 25 30 2 0 M END
CC1=CCC(C(C)(C)c2cc(O)c(C(C)(C)C3CC=C(C)C(=O)C3)cc2O)CC1=O
[C][C][=C][C][C][Branch2][Ring2][=N][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][Branch2][C][=C][Ring2][Ring1][C][O][C][C][Ring2][Ring1][N][=O]
InChI=1S/C26H34O4/c1-15-7-9-17(11-21(15)27)25(3,4)19-13-24(30)20(14-23(19)29)26(5,6)18-10-8-16(2)22(28)12-18/h7-8,13-14,17-18,29-30H,9-12H2,1-6H3
US07314693-20080101-C00557
0318.cdx ChemDraw05090515542D 26 26 0 0 0 0 0 0 0 0999 V2000 -0.3689 -0.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0834 0.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0834 -1.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3455 -0.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -0.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 0.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3455 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3689 0.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3455 1.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3455 -1.3793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7745 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7745 1.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7745 0.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3325 -0.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2559 -0.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2559 -1.3793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0834 -0.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3325 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5075 1.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4218 2.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2082 1.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7916 0.9285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5995 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 -2.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9785 -1.8962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6930 -2.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 0 17 2 1 0 17 3 1 0 1 4 4 0 4 5 4 0 5 6 4 0 6 7 4 0 7 8 4 0 8 1 4 0 7 9 1 0 4 10 1 0 6 11 1 0 11 12 1 0 11 13 1 0 14 15 1 0 15 16 2 0 11 20 1 0 18 23 1 0 19 23 2 0 20 21 1 0 21 22 1 0 22 23 1 0 15 24 1 0 17 26 1 0 24 25 1 0 25 26 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 20 21 22 23 M SBL 1 3 17 18 19 M SMT 1 CH2CH2CH2C M SBV 1 17 -5.8088 19.2986 M SBV 1 18 -8.1890 18.0855 M SBV 1 19 -7.3640 17.2605 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 24 25 26 M SBL 2 2 23 24 M SMT 2 CH2CH2CH2 M SBV 2 23 -2.4642 16.3311 M SBV 2 24 -7.0657 16.3311 M END
CC(=O)CCCC(C)(C)c1cc(O)c(C(C)(C)CCCC(C)=O)cc1O
[C][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][O][=C][Branch1][S][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][=O][C][=C][Ring1][S][O]
InChI=1S/C22H34O4/c1-15(23)9-7-11-21(3,4)17-13-20(26)18(14-19(17)25)22(5,6)12-8-10-16(2)24/h13-14,25-26H,7-12H2,1-6H3
US07314693-20080101-C00571
0332.cdx ChemDraw05100514042D 36 40 0 0 0 0 0 0 0 0999 V2000 -0.7145 -0.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.0763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.3987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.9013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 0.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3305 0.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4070 0.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5820 -1.0763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5055 -1.0763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.0763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4070 -1.0763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8195 -0.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6445 -0.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0570 -1.0763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6445 -1.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8195 -1.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1965 0.2513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9502 -0.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8640 -0.9048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8195 -0.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6445 -0.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0570 0.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6445 1.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8195 1.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8640 0.7452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9502 1.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1965 1.9013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19 1 1 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 5 7 1 0 2 8 1 0 4 9 1 0 9 10 1 0 9 11 1 0 9 12 1 0 19 13 1 0 19 14 1 0 10 15 1 0 15 16 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 4 0 21 22 4 0 22 23 4 0 23 24 4 0 24 25 4 0 25 20 4 0 22 26 1 0 26 27 1 0 27 28 1 0 28 23 1 0 16 29 4 0 29 30 4 0 30 31 4 0 31 32 4 0 32 33 4 0 33 16 4 0 31 34 1 0 34 35 1 0 35 36 1 0 36 32 1 0 M END
CC(C)(CCc1ccc2c(c1)OCO2)c1cc(O)c(C(C)(C)CCc2ccc3c(c2)OCO3)cc1O
[C][C][Branch1][C][C][Branch2][Ring1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][O]
InChI=1S/C30H34O6/c1-29(2,11-9-19-5-7-25-27(13-19)35-17-33-25)21-15-24(32)22(16-23(21)31)30(3,4)12-10-20-6-8-26-28(14-20)36-18-34-26/h5-8,13-16,31-32H,9-12,17-18H2,1-4H3
US07314693-20080101-C00595
0356.cdx Mrv0541 08031215352D 25 28 0 0 0 0 999 V2000 -1.4289 0.4125 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 -0.7145 -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 0.0000 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 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.6500 0.0000 O 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 -2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -2.0625 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 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 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 0.7145 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 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 0 0 0 2 3 4 0 0 0 0 3 4 4 0 0 0 0 4 5 4 0 0 0 0 5 6 4 0 0 0 0 6 1 4 0 0 0 0 6 7 1 0 0 0 0 3 8 1 0 0 0 0 5 19 1 0 0 0 0 2 10 1 0 0 0 0 19 9 1 0 0 0 0 10 11 4 0 0 0 0 11 12 4 0 0 0 0 12 13 4 0 0 0 0 13 14 4 0 0 0 0 14 15 4 0 0 0 0 15 10 4 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 16 4 0 0 0 0 21 22 4 0 0 0 0 22 23 4 0 0 0 0 23 24 4 0 0 0 0 24 25 4 0 0 0 0 25 16 4 0 0 0 0 M END
CC1(c2cc(O)c(-c3ccccc3)cc2O)CCc2ccccc2C1
[C][C][Branch2][Ring1][#Branch1][C][=C][C][Branch1][C][O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch2]
InChI=1S/C23H22O2/c1-23(12-11-16-7-5-6-10-18(16)15-23)20-14-21(24)19(13-22(20)25)17-8-3-2-4-9-17/h2-10,13-14,24-25H,11-12,15H2,1H3
US07314693-20080101-C00611
0372.cdx ChemDraw05110512402D 28 31 0 0 0 0 0 0 0 0999 V2000 -3.4751 -0.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7606 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0462 -0.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3317 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3317 0.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0462 0.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7606 0.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0462 1.6050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0462 -1.6950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6172 0.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2078 0.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6172 1.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6172 -0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2843 0.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3608 0.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7733 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5983 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0108 0.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5983 1.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7733 1.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8178 0.9515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9040 1.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1504 2.1075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1896 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9040 -0.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9040 -1.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1896 -2.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4751 -1.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 7 4 0 7 2 4 0 6 8 1 0 3 9 1 0 5 10 1 0 10 11 1 0 10 12 1 0 10 13 1 0 11 14 1 0 14 15 1 0 15 16 4 0 16 17 4 0 17 18 4 0 18 19 4 0 19 20 4 0 20 15 4 0 18 21 1 0 21 22 1 0 22 23 1 0 23 19 1 0 1 24 4 0 24 25 4 0 25 26 4 0 26 27 4 0 27 28 4 0 28 1 4 0 M END
CC(C)(CCc1ccc2c(c1)OCO2)c1cc(O)c(-c2ccccc2)cc1O
[C][C][Branch1][C][C][Branch2][Ring1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][O]
InChI=1S/C24H24O4/c1-24(2,11-10-16-8-9-22-23(12-16)28-15-27-22)19-14-20(25)18(13-21(19)26)17-6-4-3-5-7-17/h3-9,12-14,25-26H,10-11,15H2,1-2H3
US07314693-20080101-C00617
0378.cdx ChemDraw05110512502D 22 24 0 0 0 0 0 0 0 0999 V2000 -1.4289 -0.8250 0.0000 S 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 -0.0000 -0.8250 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 0.4125 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 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 S 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 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 -3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -2.4750 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 2.8579 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 3.5724 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.4750 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 1 2 1 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 7 4 0 7 2 4 0 6 8 1 0 3 9 1 0 5 10 1 0 1 11 1 0 10 12 1 0 11 13 4 0 13 14 4 0 14 15 4 0 15 16 4 0 16 17 4 0 17 11 4 0 12 18 4 0 18 19 4 0 19 20 4 0 20 21 4 0 21 22 4 0 22 12 4 0 M END
Oc1cc(Sc2ccccc2)c(O)cc1Sc1ccccc1
[O][C][=C][C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][O][C][=C][Ring1][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI=1S/C18H14O2S2/c19-15-12-18(22-14-9-5-2-6-10-14)16(20)11-17(15)21-13-7-3-1-4-8-13/h1-12,19-20H
US07314693-20080101-C00618
0379.cdx ChemDraw05110512522D 24 26 0 0 0 0 0 0 0 0999 V2000 -1.8488 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1344 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4199 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2946 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2946 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4199 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1344 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4199 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4199 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5633 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2778 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2778 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5633 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8488 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4215 0.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2465 0.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2465 1.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4215 1.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2778 1.0865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9923 0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2778 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9923 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 7 4 0 7 2 4 0 6 8 1 0 3 9 1 0 5 15 1 0 1 10 4 0 10 11 4 0 11 12 4 0 12 13 4 0 13 14 4 0 14 1 4 0 15 16 4 0 16 17 4 0 17 18 4 0 18 19 4 0 19 20 4 0 20 15 4 0 18 21 1 0 21 22 1 0 12 24 1 0 23 24 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 23 M SMT 1 OCH3 M SBV 1 23 -4.1449 17.4834 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 25 M SMT 2 H3CO M SBV 2 25 -5.4781 17.4281 M END
COc1ccc(-c2cc(O)c(-c3ccc(OC)cc3)cc2O)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][O][C][=C][C][Branch1][C][O][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring1][#C][O][C][=C][Ring2][Ring1][=Branch1]
InChI=1S/C20H18O4/c1-23-15-7-3-13(4-8-15)17-11-20(22)18(12-19(17)21)14-5-9-16(24-2)10-6-14/h3-12,21-22H,1-2H3
US07314693-20080101-C00622
0383.cdx ChemDraw05110513332D 22 24 0 0 0 0 0 0 0 0999 V2000 -1.4289 -0.8250 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 -0.0000 -0.8250 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 0.4125 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 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.6500 0.0000 O 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 -2.8579 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.6500 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 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -2.0625 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 0.4125 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 1.6500 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 1.4289 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 7 4 0 7 2 4 0 6 8 1 0 3 9 1 0 5 16 1 0 1 10 4 0 10 11 4 0 11 12 4 0 12 13 4 0 13 14 4 0 14 1 4 0 12 15 1 0 16 17 4 0 17 18 4 0 18 19 4 0 19 20 4 0 20 21 4 0 21 16 4 0 19 22 1 0 M END
Cc1ccc(-c2cc(O)c(-c3ccc(C)cc3)cc2O)cc1
[C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][C][O][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][O][C][=C][Ring2][Ring1][Branch1]
InChI=1S/C20H18O2/c1-13-3-7-15(8-4-13)17-11-20(22)18(12-19(17)21)16-9-5-14(2)6-10-16/h3-12,21-22H,1-2H3
US07314693-20080101-C00624
0385.cdx ChemDraw05110513352D 32 36 0 0 0 0 0 0 0 0999 V2000 -1.4289 -0.8250 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 -0.0000 -0.8250 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 0.4125 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 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.6500 0.0000 O 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 -2.8579 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.6500 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 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -2.0625 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 0.4125 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 1.6500 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 1.4289 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 7 4 0 7 2 4 0 6 8 1 0 3 9 1 0 5 16 1 0 1 10 4 0 10 11 4 0 11 12 4 0 12 13 4 0 13 14 4 0 14 1 4 0 12 15 1 0 16 17 4 0 17 18 4 0 18 19 4 0 19 20 4 0 20 21 4 0 21 16 4 0 15 22 4 0 22 23 4 0 23 24 4 0 24 25 4 0 25 26 4 0 26 15 4 0 19 27 1 0 27 28 4 0 28 29 4 0 29 30 4 0 30 31 4 0 31 32 4 0 32 27 4 0 M END
Oc1cc(-c2ccc(-c3ccccc3)cc2)c(O)cc1-c1ccc(-c2ccccc2)cc1
[O][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][=C][Branch1][C][O][C][=C][Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N]
InChI=1S/C30H22O2/c31-29-20-28(26-17-13-24(14-18-26)22-9-5-2-6-10-22)30(32)19-27(29)25-15-11-23(12-16-25)21-7-3-1-4-8-21/h1-20,31-32H
US07314693-20080101-C00625
0386.cdx ChemDraw05110513382D 30 34 0 0 0 0 0 0 0 0999 V2000 -0.7145 -0.4125 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 0.7145 -0.4125 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 0.0000 0.8250 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 0.0000 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1274 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1274 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6985 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6985 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9139 -1.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9139 -0.1576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1274 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1274 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4130 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6985 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6985 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4130 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9139 0.1576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9139 1.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9139 0.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9139 -2.3174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9139 2.3174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9139 -0.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16 1 1 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 5 7 1 0 2 8 1 0 4 25 1 0 9 10 4 0 10 11 4 0 11 12 4 0 12 13 4 0 13 14 4 0 14 9 4 0 12 15 1 0 15 16 1 0 16 17 1 0 17 13 1 0 18 19 4 0 19 20 4 0 20 21 4 0 21 22 4 0 22 23 4 0 23 18 4 0 21 24 1 0 24 25 1 0 25 26 1 0 26 22 1 0 17 27 2 0 15 28 2 0 26 29 2 0 24 30 2 0 M END
O=C1c2ccccc2C(=O)N1c1cc(O)c(N2C(=O)c3ccccc3C2=O)cc1O
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][C][O]
InChI=1S/C22H12N2O6/c25-17-10-16(24-21(29)13-7-3-4-8-14(13)22(24)30)18(26)9-15(17)23-19(27)11-5-1-2-6-12(11)20(23)28/h1-10,25-26H
US07314693-20080101-C00626
0387.cdx ChemDraw05110513402D 24 26 0 0 0 0 0 0 0 0999 V2000 -1.4289 -0.8250 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 -0.0000 -0.8250 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 0.4125 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 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.6500 0.0000 O 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 -2.8579 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.6500 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 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -2.0625 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 0.4125 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 1.6500 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 1.4289 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 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 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 7 4 0 7 2 4 0 6 8 1 0 3 9 1 0 5 16 1 0 1 10 4 0 10 11 4 0 11 12 4 0 12 13 4 0 13 14 4 0 14 1 4 0 12 15 1 0 16 17 4 0 17 18 4 0 18 19 4 0 19 20 4 0 20 21 4 0 21 16 4 0 19 22 1 0 14 23 1 0 17 24 1 0 M END
Cc1ccc(-c2cc(O)c(-c3ccc(C)cc3C)cc2O)c(C)c1
[C][C][=C][C][=C][Branch2][Ring1][O][C][=C][C][Branch1][C][O][=C][Branch1][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][=C][Ring1][#C][O][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1]
InChI=1S/C22H22O2/c1-13-5-7-17(15(3)9-13)19-11-22(24)20(12-21(19)23)18-8-6-14(2)10-16(18)4/h5-12,23-24H,1-4H3
US07314693-20080101-C00627
0388.cdx ChemDraw05110513412D 34 38 0 0 0 0 0 0 0 0999 V2000 -1.4289 -0.8250 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 -0.0000 -0.8250 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 0.4125 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 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.6500 0.0000 O 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 -2.8579 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.6500 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 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -2.0625 0.0000 O 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 0.4125 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 1.6500 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 1.4289 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 7 4 0 7 2 4 0 6 8 1 0 3 9 1 0 5 16 1 0 1 10 4 0 10 11 4 0 11 12 4 0 12 13 4 0 13 14 4 0 14 1 4 0 12 15 1 0 16 17 4 0 17 18 4 0 18 19 4 0 19 20 4 0 20 21 4 0 21 16 4 0 19 22 1 0 15 23 1 0 23 24 4 0 24 25 4 0 25 26 4 0 26 27 4 0 27 28 4 0 28 23 4 0 22 29 1 0 29 30 4 0 30 31 4 0 31 32 4 0 32 33 4 0 33 34 4 0 34 29 4 0 M END
Oc1cc(-c2ccc(Oc3ccccc3)cc2)c(O)cc1-c1ccc(Oc2ccccc2)cc1
[O][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][=C][Branch1][C][O][C][=C][Ring2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N]
InChI=1S/C30H22O4/c31-29-20-28(22-13-17-26(18-14-22)34-24-9-5-2-6-10-24)30(32)19-27(29)21-11-15-25(16-12-21)33-23-7-3-1-4-8-23/h1-20,31-32H
US07314693-20080101-C00628
00389001.cdx ChemDraw10240710562D 37 41 0 0 0 0 0 0 0 0999 V2000 -1.9501 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2356 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5211 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1934 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1934 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5211 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2356 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5211 2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5211 -0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6645 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3790 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3790 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6645 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9501 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0935 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9078 1.8562 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.8079 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5224 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2369 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2369 -2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5224 -2.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8079 -2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6223 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6223 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3368 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0512 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0512 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3368 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3368 2.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3368 -0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7657 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8079 -0.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8079 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5224 -1.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2369 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2369 -0.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5224 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 7 4 0 7 2 4 0 6 8 1 0 3 9 1 0 5 16 1 0 1 10 4 0 10 11 4 0 11 12 4 0 12 13 4 0 13 14 4 0 14 1 4 0 12 15 1 0 15 17 1 0 17 18 4 0 18 19 4 0 19 20 4 0 20 21 4 0 21 22 4 0 22 17 4 0 16 23 1 0 23 24 4 0 24 25 4 0 25 26 4 0 26 27 4 0 27 28 4 0 28 23 4 0 28 29 1 0 25 30 1 0 26 31 1 0 32 33 4 0 33 34 4 0 34 35 4 0 35 36 4 0 36 37 4 0 37 32 4 0 32 31 1 0 M END
Oc1cc(Sc2cc(O)c(-c3ccc(Cc4ccccc4)cc3)cc2O)c(O)cc1Cc1ccccc1
[O][C][=C][C][Branch2][Ring2][Branch1][S][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][=C][Ring2][Ring1][Ring2][O][=C][Branch1][C][O][C][=C][Ring2][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI=1S/C32H26O4S/c33-27-19-31(29(35)17-25(27)16-22-9-5-2-6-10-22)37-32-20-28(34)26(18-30(32)36)24-13-11-23(12-14-24)15-21-7-3-1-4-8-21/h1-14,17-20,33-36H,15-16H2
US07314693-20080101-C00629
0001.cdx ChemDraw04300518062D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 -0.4125 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 -1.4289 0.4125 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 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.8250 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 -0.7145 -1.6500 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 0.7145 -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 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 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 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 5 8 1 0 6 9 1 0 3 10 1 0 1 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 2 1 0 13 15 1 0 13 16 1 0 M END
Cc1c(C)c2c(c(C)c1O)CCC(C)(C)O2
[C][C][=C][Branch1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][N]
InChI=1S/C14H20O2/c1-8-9(2)13-11(10(3)12(8)15)6-7-14(4,5)16-13/h15H,6-7H2,1-5H3
US07314693-20080101-C00631
0003.cdx ChemDraw04300518122D 38 41 0 0 0 0 0 0 0 0999 V2000 -1.5013 2.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5013 3.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2157 3.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9302 3.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9302 2.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2157 1.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6447 1.8010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2157 0.9760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2157 4.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7868 1.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0723 2.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0723 3.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7868 3.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6421 2.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2157 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9302 -0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9302 -1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2157 -1.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5013 -1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5013 -0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6447 -1.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2157 -2.3240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5013 -2.7365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7868 -2.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7868 -1.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9138 -3.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8192 -4.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8943 -3.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5696 2.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6447 3.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3109 -3.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -3.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0693 -4.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8772 -4.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0429 3.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 3.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6627 2.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8548 2.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 5 7 1 0 6 8 1 0 3 9 1 0 1 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 2 1 0 12 14 1 0 8 15 1 0 15 16 4 0 16 17 4 0 17 18 4 0 18 19 4 0 19 20 4 0 20 15 4 0 17 21 1 0 18 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 19 1 0 23 26 1 0 23 31 1 0 27 34 1 0 28 34 1 0 31 32 1 0 32 33 1 0 33 34 1 0 29 38 1 0 30 38 1 0 12 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 31 32 33 34 M SBL 1 3 30 31 32 M SMT 1 CH2CH2CH2CH M SBV 1 30 -1.3491 5.8744 M SBV 1 31 -5.8577 7.2113 M SBV 1 32 -6.9328 6.3863 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 35 36 37 38 M SBL 2 3 36 37 38 M SMT 2 CH2CH2CH2CH M SBV 2 36 -5.8761 7.2113 M SBV 2 37 -6.9512 6.3863 M SBV 2 38 -1.0460 7.0197 M END
Cc1cc(Oc2c(O)cc(C)c3c2CCC(C)(CCCC(C)C)O3)cc2c1OC(C)(CCCC(C)C)CC2
[C][C][=C][C][Branch2][Ring2][Ring1][O][C][=C][Branch1][C][O][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][C][Branch1][C][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][O][Ring1][=N][=C][C][=C][Ring2][Ring1][#Branch2][O][C][Branch1][C][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][C][C][Ring1][=N]
InChI=1S/C34H50O4/c1-22(2)11-9-15-33(7)17-13-26-21-27(19-24(5)30(26)37-33)36-32-28-14-18-34(8,16-10-12-23(3)4)38-31(28)25(6)20-29(32)35/h19-23,35H,9-18H2,1-8H3
US07314693-20080101-C00633
0005.cdx ChemDraw04300518152D 32 35 0 0 0 0 0 0 0 0999 V2000 0.0000 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 -0.7145 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 -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.2375 0.0000 O 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 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 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 0.7145 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.8875 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 0.0000 -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 -0.7145 -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 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.2375 0.0000 O 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 -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 0.7145 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 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 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 5 8 1 0 6 9 1 0 3 10 1 0 1 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 2 1 0 13 15 1 0 13 16 1 0 17 18 4 0 18 19 4 0 19 20 4 0 20 21 4 0 21 22 4 0 22 17 4 0 20 23 1 0 21 24 1 0 22 32 1 0 19 25 1 0 17 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 18 1 0 28 30 1 0 28 31 1 0 9 32 1 0 M END
Cc1c(C)c2c(c(CCc3c(O)c(C)c(C)c4c3CCC(C)(C)O4)c1O)CCC(C)(C)O2
[C][C][=C][Branch1][C][C][C][=C][Branch2][Ring2][=Branch2][C][Branch2][Ring1][S][C][C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][=Branch2][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][Branch2][=C][Ring2][Ring1][Branch2][O][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][N]
InChI=1S/C28H38O4/c1-15-17(3)25-21(11-13-27(5,6)31-25)19(23(15)29)9-10-20-22-12-14-28(7,8)32-26(22)18(4)16(2)24(20)30/h29-30H,9-14H2,1-8H3
US07314693-20080101-C00634
0006.cdx ChemDraw04300518182D 42 45 0 0 0 0 0 0 0 0999 V2000 -1.4915 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4915 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9205 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9205 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6349 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6349 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7771 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0626 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0626 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7771 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6519 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4915 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4915 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9205 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9205 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6349 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6349 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7771 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0626 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0626 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7771 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6519 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5599 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6349 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6349 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5599 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0516 -2.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2547 -2.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6713 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8634 -2.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0516 2.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2547 2.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6713 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8634 2.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 5 8 1 0 6 9 1 0 3 10 1 0 1 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 2 1 0 13 15 1 0 16 17 4 0 17 18 4 0 18 19 4 0 19 20 4 0 20 21 4 0 21 16 4 0 19 22 1 0 20 23 1 0 21 30 1 0 18 24 1 0 16 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 17 1 0 27 29 1 0 9 30 1 0 27 35 1 0 33 38 1 0 34 38 1 0 35 36 1 0 36 37 1 0 37 38 1 0 13 39 1 0 31 42 1 0 32 42 1 0 39 40 1 0 40 41 1 0 41 42 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 35 36 37 38 M SBL 1 3 34 35 36 M SMT 1 CH2CH2CH2CH M SBV 1 34 -1.0374 6.6415 M SBV 1 35 -6.9230 6.0263 M SBV 1 36 -5.8479 6.8513 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 39 40 41 42 M SBL 2 3 40 41 42 M SMT 2 CH2CH2CH2CH M SBV 2 40 -1.0374 6.6415 M SBV 2 41 -5.8479 6.8513 M SBV 2 42 -6.9230 6.0263 M END
Cc1c(C)c2c(c(CCc3c(O)c(C)c(C)c4c3CCC(C)(CCCC(C)C)O4)c1O)CCC(C)(CCCC(C)C)O2
[C][C][=C][Branch1][C][C][C][=C][Branch2][Ring2][S][C][Branch2][Ring2][#Branch1][C][C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][=Branch2][C][C][C][Branch1][C][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][O][Ring1][=N][=C][Ring2][Ring1][=N][O][C][C][C][Branch1][C][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][O][Ring2][Ring2][=Branch1]
InChI=1S/C38H58O4/c1-23(2)13-11-19-37(9)21-17-31-29(33(39)25(5)27(7)35(31)41-37)15-16-30-32-18-22-38(10,20-12-14-24(3)4)42-36(32)28(8)26(6)34(30)40/h23-24,39-40H,11-22H2,1-10H3
US07314693-20080101-C00635
0007.cdx ChemDraw04300518192D 39 42 0 0 0 0 0 0 0 0999 V2000 -1.4915 1.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4915 2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9205 2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9205 1.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 0.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6349 0.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 3.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7771 0.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0626 1.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0626 2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7771 2.4804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6519 1.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4915 -1.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4915 -2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 -2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9205 -2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9205 -1.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 -0.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6349 -0.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 -3.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7771 -0.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0626 -1.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0626 -2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7771 -2.4804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6519 -2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5599 1.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6349 2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6349 -1.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5599 -2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 -0.0054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0516 2.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2547 2.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6713 1.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8634 1.8226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0516 -2.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2547 -1.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6713 -2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8634 -2.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 5 7 1 0 3 8 1 0 1 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 2 1 0 11 13 1 0 14 15 4 0 15 16 4 0 16 17 4 0 17 18 4 0 18 19 4 0 19 14 4 0 18 20 1 0 16 21 1 0 14 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 15 1 0 24 26 1 0 19 31 1 0 31 6 1 0 11 32 1 0 27 35 1 0 28 35 1 0 32 33 1 0 33 34 1 0 34 35 1 0 24 36 1 0 29 39 1 0 30 39 1 0 36 37 1 0 37 38 1 0 38 39 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 32 33 34 35 M SBL 1 3 31 32 33 M SMT 1 CH2CH2CH2CH M SBV 1 31 -0.9170 6.2344 M SBV 1 32 -5.7276 6.4442 M SBV 1 33 -6.8027 5.6192 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 36 37 38 39 M SBL 2 3 37 38 39 M SMT 2 CH2CH2CH2CH M SBV 2 37 -0.9170 6.2344 M SBV 2 38 -6.8027 5.6192 M SBV 2 39 -5.7276 6.4442 M END
Cc1cc(O)c(Oc2c(O)cc(C)c3c2CCC(C)(CCCC(C)C)O3)c2c1OC(C)(CCCC(C)C)CC2
[C][C][=C][C][Branch1][C][O][=C][Branch2][Ring2][Ring1][O][C][=C][Branch1][C][O][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][C][Branch1][C][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][O][Ring1][=N][C][=C][Ring2][Ring1][O][O][C][Branch1][C][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][C][C][Ring1][=N]
InChI=1S/C34H50O5/c1-21(2)11-9-15-33(7)17-13-25-29(38-33)23(5)19-27(35)31(25)37-32-26-14-18-34(8,16-10-12-22(3)4)39-30(26)24(6)20-28(32)36/h19-22,35-36H,9-18H2,1-8H3
US07314693-20080101-C00637
0009.cdx ChemDraw04300518222D 30 33 0 0 0 0 0 0 0 0999 V2000 -0.0097 1.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0097 2.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7242 3.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4387 2.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4387 1.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7242 1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1532 1.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7242 0.5635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7047 1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4192 1.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4192 2.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7047 3.0385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1337 2.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7242 -0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4387 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4387 -1.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7242 -1.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0097 -1.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0097 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7242 -2.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0097 -3.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7047 -2.7365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7047 -1.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4222 -3.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4028 -3.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1532 3.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1532 3.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1532 -0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1532 -1.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7242 3.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 5 7 1 0 6 8 1 0 1 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 2 1 0 11 13 1 0 8 14 1 0 14 15 4 0 15 16 4 0 16 17 4 0 17 18 4 0 18 19 4 0 19 14 4 0 17 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 18 1 0 21 24 1 0 21 25 1 0 26 11 1 0 4 27 1 0 15 28 1 0 16 29 1 0 3 30 1 0 M END
Cc1c(Oc2c(O)c(C)c(C)c3c2CCC(C)(C)O3)cc2c(c1C)OC(C)(C)CC2
[C][C][=C][Branch2][Ring1][#C][O][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][=Branch2][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][Branch2][C][=C][C][=Branch1][=Branch1][=C][Ring2][Ring1][=Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][#Branch2]
InChI=1S/C26H34O4/c1-14-16(3)22-18(9-11-25(5,6)29-22)13-20(14)28-24-19-10-12-26(7,8)30-23(19)17(4)15(2)21(24)27/h13,27H,9-12H2,1-8H3
US07314693-20080101-C00639
0011.cdx ChemDraw04300518242D 40 43 0 0 0 0 0 0 0 0999 V2000 -1.5013 2.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5013 3.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2157 3.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9302 3.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9302 2.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2157 1.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6447 1.8010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2157 0.9760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2157 4.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7868 1.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0723 2.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0723 3.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7868 3.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6421 2.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2157 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9302 -0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9302 -1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2157 -1.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5013 -1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5013 -0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6447 -1.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2157 -2.3240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5013 -2.7365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7868 -2.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7868 -1.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9138 -3.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8192 -4.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8943 -3.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5696 2.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6447 3.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6447 3.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6447 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0429 3.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 3.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6627 2.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8548 2.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3109 -3.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -3.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0693 -4.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8772 -4.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 5 7 1 0 6 8 1 0 3 9 1 0 1 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 2 1 0 12 14 1 0 8 15 1 0 15 16 4 0 16 17 4 0 17 18 4 0 18 19 4 0 19 20 4 0 20 15 4 0 17 21 1 0 18 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 19 1 0 23 26 1 0 4 31 1 0 16 32 1 0 29 36 1 0 30 36 1 0 12 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 23 37 1 0 27 40 1 0 28 40 1 0 37 38 1 0 38 39 1 0 39 40 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 33 34 35 36 M SBL 1 3 32 33 34 M SMT 1 CH2CH2CH2CH M SBV 1 32 -5.8761 7.3350 M SBV 1 33 -6.9512 6.5100 M SBV 1 34 -1.0460 7.1434 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 37 38 39 40 M SBL 2 3 38 39 40 M SMT 2 CH2CH2CH2CH M SBV 2 38 -1.3491 5.9982 M SBV 2 39 -5.8577 7.3350 M SBV 2 40 -6.9328 6.5100 M END
Cc1c(Oc2c(O)c(C)c(C)c3c2CCC(C)(CCCC(C)C)O3)cc2c(c1C)OC(C)(CCCC(C)C)CC2
[C][C][=C][Branch2][Ring2][=Branch1][O][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][=Branch2][C][C][C][Branch1][C][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][O][Ring1][=N][C][=C][C][=Branch1][=Branch1][=C][Ring2][Ring1][O][C][O][C][Branch1][C][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][C][C][Ring1][#C]
InChI=1S/C36H54O4/c1-22(2)13-11-17-35(9)19-15-28-21-30(24(5)26(7)32(28)39-35)38-34-29-16-20-36(10,18-12-14-23(3)4)40-33(29)27(8)25(6)31(34)37/h21-23,37H,11-20H2,1-10H3
US07314693-20080101-C00640
00012001.cdx ChemDraw10240711212D 30 33 0 0 0 0 0 0 0 0999 V2000 -1.4289 2.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 8 11 1 0 8 12 1 0 3 13 1 0 2 14 1 0 14 15 1 0 15 16 1 0 16 17 4 0 17 18 4 0 18 19 4 0 19 20 4 0 20 21 4 0 21 16 4 0 21 22 1 0 19 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 20 1 0 25 27 1 0 25 28 1 0 17 29 1 0 18 30 1 0 M END
Cc1c(O)c(CCc2ccc3c(c2C)OC(C)(C)CC3)c(C)c2c1CCC(C)(C)O2
[C][C][=C][Branch1][C][O][C][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][#Branch2][=C][Branch1][C][C][C][=C][Ring2][Ring1][#Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][Branch2]
InChI=1S/C27H36O3/c1-16-19(8-9-20-12-14-26(4,5)29-24(16)20)10-11-21-18(3)25-22(17(2)23(21)28)13-15-27(6,7)30-25/h8-9,28H,10-15H2,1-7H3
US07314693-20080101-C00641
0013.cdx ChemDraw04300518452D 30 33 0 0 0 0 0 0 0 0999 V2000 0.0000 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 -0.7145 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 -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.2375 0.0000 O 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 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 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 0.7145 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.8875 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 0.0000 -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 -0.7145 -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 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.2375 0.0000 O 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 -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 0.7145 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 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 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 5 7 1 0 6 8 1 0 3 9 1 0 1 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 2 1 0 12 14 1 0 12 15 1 0 16 17 4 0 17 18 4 0 18 19 4 0 19 20 4 0 20 21 4 0 21 16 4 0 20 22 1 0 21 30 1 0 18 23 1 0 16 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 17 1 0 26 28 1 0 26 29 1 0 8 30 1 0 M END
Cc1cc(O)c(CCc2c(O)cc(C)c3c2CCC(C)(C)O3)c2c1OC(C)(C)CC2
[C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][=N][C][C][C][=C][Branch1][C][O][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][Branch2][C][=C][Ring2][Ring1][#Branch1][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2]
InChI=1S/C26H34O4/c1-15-13-21(27)17(19-9-11-25(3,4)29-23(15)19)7-8-18-20-10-12-26(5,6)30-24(20)16(2)14-22(18)28/h13-14,27-28H,7-12H2,1-6H3
US07314693-20080101-C00642
0014.cdx ChemDraw04300518482D 31 34 0 0 0 0 0 0 0 0999 V2000 0.0000 1.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 3.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.4804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -3.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.4804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 5 8 1 0 3 9 1 0 1 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 2 1 0 12 14 1 0 12 15 1 0 16 17 4 0 17 18 4 0 18 19 4 0 19 20 4 0 20 21 4 0 21 16 4 0 19 22 1 0 20 23 1 0 21 31 1 0 18 24 1 0 16 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 17 1 0 27 29 1 0 27 30 1 0 31 6 1 0 M END
Cc1c(C)c2c(c(Cc3c(O)c(C)c(C)c4c3CCC(C)(C)O4)c1O)CCC(C)(C)O2
[C][C][=C][Branch1][C][C][C][=C][Branch2][Ring2][Branch2][C][Branch2][Ring1][#C][C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][=Branch2][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][Branch2][=C][Ring2][Ring1][#Branch1][O][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][O]
InChI=1S/C27H36O4/c1-14-16(3)24-18(9-11-26(5,6)30-24)20(22(14)28)13-21-19-10-12-27(7,8)31-25(19)17(4)15(2)23(21)29/h28-29H,9-13H2,1-8H3
US07314693-20080101-C00643
0015.cdx ChemDraw04300518502D 31 34 0 0 0 0 0 0 0 0999 V2000 -2.6762 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6762 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9618 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2473 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2473 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9618 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9618 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9618 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3907 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1052 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1052 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3907 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8197 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8197 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5328 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1258 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2473 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2473 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9618 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6762 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6762 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9618 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5328 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9618 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9618 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3907 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1052 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1052 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3907 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8197 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8197 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 6 7 1 0 3 8 1 0 1 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 2 1 0 10 13 1 0 10 14 1 0 4 15 1 0 5 16 1 0 16 17 1 0 17 18 4 0 18 19 4 0 19 20 4 0 20 21 4 0 21 22 4 0 22 17 4 0 18 23 1 0 22 24 1 0 19 25 1 0 20 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 21 1 0 28 30 1 0 28 31 1 0 M END
Cc1c(O)c(Cc2c(C)c3c(c(C)c2O)CCC(C)(C)O3)c(C)c2c1CCC(C)(C)O2
[C][C][=C][Branch1][C][O][C][Branch2][Ring1][#C][C][C][=C][Branch1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][N][=C][Branch1][C][C][C][=C][Ring2][Ring1][Branch2][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][Branch2]
InChI=1S/C27H36O4/c1-14-18-9-11-26(5,6)30-24(18)16(3)20(22(14)28)13-21-17(4)25-19(15(2)23(21)29)10-12-27(7,8)31-25/h28-29H,9-13H2,1-8H3
US07314693-20080101-C00644
0016.cdx ChemDraw04300518522D 31 33 0 0 0 0 0 0 0 0999 V2000 -3.8031 -0.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8031 0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5175 0.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2320 0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2320 -0.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5175 -1.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9465 0.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9465 -1.1215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5175 1.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0886 -1.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3741 -0.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3741 0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0886 0.5285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6596 0.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6596 -0.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5175 -1.9574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5831 0.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4934 0.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5699 0.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5699 -0.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3949 0.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4715 0.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2965 0.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7090 -0.1860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5340 -0.1860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9465 0.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5340 1.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7090 1.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2965 1.9574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1215 1.9574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2965 -0.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 5 8 1 0 3 9 1 0 1 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 2 1 0 12 14 1 0 12 15 1 0 16 6 1 0 14 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 23 1 0 28 29 1 0 28 30 1 0 24 31 1 0 M END
CC(C=CC1C(C)CCCC1(C)C)=CC=CC1(C)CCc2c(C)c(O)c(C)c(C)c2O1
[C][C][Branch2][Ring1][C][C][=C][C][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][Branch1][C][C][C][=C][C][=C][C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch2][O][Ring1][#C]
InChI=1S/C29H42O2/c1-19(13-14-25-20(2)12-10-16-28(25,6)7)11-9-17-29(8)18-15-24-23(5)26(30)21(3)22(4)27(24)31-29/h9,11,13-14,17,20,25,30H,10,12,15-16,18H2,1-8H3
US07314693-20080101-C00647
0019.cdx ChemDraw04300518552D 33 36 0 0 0 0 0 0 0 0999 V2000 0.0000 1.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.4804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.4804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -2.6867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -3.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 3.0992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 2.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 5 8 1 0 1 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 2 1 0 11 13 1 0 11 14 1 0 15 16 4 0 16 17 4 0 17 18 4 0 18 19 4 0 19 20 4 0 20 15 4 0 18 21 1 0 19 22 1 0 20 29 1 0 15 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 16 1 0 25 27 1 0 25 28 1 0 29 6 1 0 17 30 1 0 30 31 1 0 3 32 1 0 32 33 1 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 OCH3 M SBV 1 33 -3.0172 6.0708 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 32 33 M SBL 2 1 35 M SMT 2 OCH3 M SBV 2 35 -2.3028 6.8958 M END
COc1c(C)c(O)c(Cc2c(O)c(C)c(OC)c3c2CCC(C)(C)O3)c2c1OC(C)(C)CC2
[C][O][C][=C][Branch1][C][C][C][Branch1][C][O][=C][Branch2][Ring1][S][C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][Branch2][C][=C][Ring2][Ring1][=Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2]
InChI=1S/C27H36O6/c1-14-20(28)18(16-9-11-26(3,4)32-24(16)22(14)30-7)13-19-17-10-12-27(5,6)33-25(17)23(31-8)15(2)21(19)29/h28-29H,9-13H2,1-8H3
US07314693-20080101-C00648
0020.cdx ChemDraw04300518562D 41 46 0 0 0 0 0 0 0 0999 V2000 -0.8725 1.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8725 2.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 2.9334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3014 2.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3014 1.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 1.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0159 2.9334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0159 1.2834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 3.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 1.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5565 1.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5565 2.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 2.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3659 3.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2709 2.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8725 -0.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8725 -1.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 -2.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3014 -1.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3014 -0.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 -0.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0159 -2.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0159 -0.3775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 -2.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -0.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5565 -0.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5565 -1.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -2.0275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 -2.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2709 -1.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 0.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7784 2.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6034 2.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0159 3.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6034 3.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7784 3.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5565 -3.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 -3.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7940 -3.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2065 -3.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7940 -2.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 5 8 1 0 3 9 1 0 1 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 2 1 0 12 14 1 0 12 15 1 0 16 17 4 0 17 18 4 0 18 19 4 0 19 20 4 0 20 21 4 0 21 16 4 0 19 22 1 0 20 23 1 0 21 31 1 0 18 24 1 0 16 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 17 1 0 27 29 1 0 27 30 1 0 31 6 1 0 14 32 4 0 32 33 4 0 33 34 4 0 34 35 4 0 35 36 4 0 36 14 4 0 29 37 4 0 37 38 4 0 38 39 4 0 39 40 4 0 40 41 4 0 41 29 4 0 M END
Cc1c(C)c2c(c(Cc3c(O)c(C)c(C)c4c3CCC(C)(c3ccccc3)O4)c1O)CCC(C)(c1ccccc1)O2
[C][C][=C][Branch1][C][C][C][=C][Branch2][Ring2][#C][C][Branch2][Ring2][=Branch1][C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][=Branch2][C][C][C][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=N][=C][Ring2][Ring1][N][O][C][C][C][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring2][Branch1]
InChI=1S/C37H40O4/c1-22-24(3)34-28(17-19-36(5,40-34)26-13-9-7-10-14-26)30(32(22)38)21-31-29-18-20-37(6,27-15-11-8-12-16-27)41-35(29)25(4)23(2)33(31)39/h7-16,38-39H,17-21H2,1-6H3
US07314693-20080101-C00650
0022.cdx ChemDraw04300518592D 41 44 0 0 0 0 0 0 0 0999 V2000 -1.4915 1.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4915 2.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 2.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9205 2.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9205 1.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 0.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6349 2.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6349 0.8372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 3.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7771 0.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0626 1.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0626 2.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7771 2.4872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6519 1.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4915 -1.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4915 -2.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 -2.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9205 -2.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9205 -1.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 -0.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6349 -2.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6349 -0.8372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 -3.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7771 -0.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0626 -1.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0626 -2.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7771 -2.4872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6519 -2.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 -0.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5599 1.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6349 2.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6349 -1.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5599 -2.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0516 2.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2547 2.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6713 1.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8634 1.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0516 -2.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2547 -1.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6713 -2.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8634 -2.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 5 8 1 0 3 9 1 0 1 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 2 1 0 12 14 1 0 15 16 4 0 16 17 4 0 17 18 4 0 18 19 4 0 19 20 4 0 20 15 4 0 18 21 1 0 19 22 1 0 20 29 1 0 17 23 1 0 15 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 16 1 0 26 28 1 0 29 6 1 0 12 34 1 0 30 37 1 0 31 37 1 0 34 35 1 0 35 36 1 0 36 37 1 0 26 38 1 0 32 41 1 0 33 41 1 0 38 39 1 0 39 40 1 0 40 41 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 34 35 36 37 M SBL 1 3 33 34 35 M SMT 1 CH2CH2CH2CH M SBV 1 33 -1.0374 6.2412 M SBV 1 34 -5.8479 6.4510 M SBV 1 35 -6.9230 5.6260 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 38 39 40 41 M SBL 2 3 39 40 41 M SMT 2 CH2CH2CH2CH M SBV 2 39 -1.0374 6.2412 M SBV 2 40 -6.9230 5.6260 M SBV 2 41 -5.8479 6.4510 M END
Cc1c(C)c2c(c(Cc3c(O)c(C)c(C)c4c3CCC(C)(CCCC(C)C)O4)c1O)CCC(C)(CCCC(C)C)O2
[C][C][=C][Branch1][C][C][C][=C][Branch2][Ring2][#C][C][Branch2][Ring2][=Branch1][C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][=Branch2][C][C][C][Branch1][C][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][O][Ring1][=N][=C][Ring2][Ring1][N][O][C][C][C][Branch1][C][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][O][Ring2][Ring2][Branch1]
InChI=1S/C37H56O4/c1-22(2)13-11-17-36(9)19-15-28-30(32(38)24(5)26(7)34(28)40-36)21-31-29-16-20-37(10,18-12-14-23(3)4)41-35(29)27(8)25(6)33(31)39/h22-23,38-39H,11-21H2,1-10H3
US07314693-20080101-C00651
0023.cdx ChemDraw04300519032D 41 44 0 0 0 0 0 0 0 0999 V2000 -2.6791 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6791 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9646 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2501 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2501 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9646 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9646 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9646 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3935 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1080 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1080 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3935 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8225 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5357 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1286 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2445 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2445 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6734 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6734 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3879 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1024 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1024 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3879 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8168 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7248 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7999 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7248 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7999 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2165 0.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4196 0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8363 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0284 0.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0285 0.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8363 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4196 0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2165 0.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 6 7 1 0 3 8 1 0 1 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 2 1 0 10 13 1 0 4 14 1 0 5 15 1 0 15 16 1 0 16 17 4 0 17 18 4 0 18 19 4 0 19 20 4 0 20 21 4 0 21 16 4 0 17 22 1 0 21 23 1 0 18 24 1 0 19 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 20 1 0 27 29 1 0 27 34 1 0 30 37 1 0 31 37 1 0 34 35 1 0 35 36 1 0 36 37 1 0 10 41 1 0 32 38 1 0 33 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 34 35 36 37 M SBL 1 3 33 34 35 M SMT 1 CH2CH2CH2CH M SBV 1 33 -5.2023 5.4089 M SBV 1 34 -10.0129 5.6187 M SBV 1 35 -11.0880 4.7937 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 38 39 40 41 M SBL 2 3 39 40 41 M SMT 2 HCH2CH2CH2C M SBV 2 39 -11.4250 5.4089 M SBV 2 40 -6.6202 5.6191 M SBV 2 41 -5.5451 4.7941 M END
Cc1c(O)c(Cc2c(C)c3c(c(C)c2O)CCC(C)(CCCC(C)C)O3)c(C)c2c1CCC(C)(CCCC(C)C)O2
[C][C][=C][Branch1][C][O][C][Branch2][Ring2][=Branch1][C][C][=C][Branch1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][C][Branch1][C][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][O][Ring1][P][=C][Branch1][C][C][C][=C][Ring2][Ring1][=N][C][C][C][Branch1][C][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][O][Ring1][=N]
InChI=1S/C37H56O4/c1-22(2)13-11-17-36(9)19-15-28-24(5)32(38)30(26(7)34(28)40-36)21-31-27(8)35-29(25(6)33(31)39)16-20-37(10,41-35)18-12-14-23(3)4/h22-23,38-39H,11-21H2,1-10H3
US07314693-20080101-C00652
0024.cdx ChemDraw04300519042D 33 36 0 0 0 0 0 0 0 0999 V2000 -0.3572 1.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 1.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 3.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 2.4804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -3.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -2.4804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -1.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 5 8 1 0 3 9 1 0 1 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 2 1 0 12 14 1 0 15 16 4 0 16 17 4 0 17 18 4 0 18 19 4 0 19 20 4 0 20 15 4 0 18 21 1 0 19 22 1 0 20 29 1 0 17 23 1 0 15 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 16 1 0 26 28 1 0 29 6 1 0 12 31 1 0 30 31 1 0 26 33 1 0 32 33 1 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 C2H5 M SBV 1 33 -2.3028 6.6896 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 32 33 M SBL 2 1 35 M SMT 2 C2H5 M SBV 2 35 -2.3028 6.6896 M END
CCC1(C)CCc2c(Cc3c(O)c(C)c(C)c4c3CCC(C)(CC)O4)c(O)c(C)c(C)c2O1
[C][C][C][Branch1][C][C][C][C][C][=C][Branch2][Ring1][S][C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][=Branch2][C][C][C][Branch1][C][C][Branch1][Ring1][C][C][O][Ring1][=Branch2][C][Branch1][C][O][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring2][Ring1][#Branch2][O][Ring2][Ring1][#C]
InChI=1S/C29H40O4/c1-9-28(7)13-11-20-22(24(30)16(3)18(5)26(20)32-28)15-23-21-12-14-29(8,10-2)33-27(21)19(6)17(4)25(23)31/h30-31H,9-15H2,1-8H3
US07314693-20080101-C00653
1372.cdx ChemDraw05170510402D 21 20 0 0 0 0 0 0 0 0999 V2000 -2.7418 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4562 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4562 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7418 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0273 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0273 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3128 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5983 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5983 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3128 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1161 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1161 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1926 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2692 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3457 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1707 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3457 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1707 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1707 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6357 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1734 0.8250 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 5 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 6 1 0 9 11 1 0 9 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 2 18 1 0 3 19 1 0 A 20 ) A 21 ( M END
C.C.CC(C)=CCCC1(C)C=Cc2cc(O)c(C)cc2O1
[C].[C].[C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Branch1][C][C][C][=C][Ring1][Branch2][O][Ring1][=N]
InChI=1S/C17H22O2.2CH4/c1-12(2)6-5-8-17(4)9-7-14-11-15(18)13(3)10-16(14)19-17;;/h6-7,9-11,18H,5,8H2,1-4H3;2*1H4
US07314693-20080101-C00654
1375.cdx ChemDraw05170510392D 14 15 0 0 0 0 0 0 0 0999 V2000 -0.7145 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 -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 C 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 1.4289 -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 0.7145 0.4125 0.0000 O 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 2.1434 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 -2.1434 -1.2375 0.0000 O 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 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 7 8 1 0 8 9 1 0 9 6 1 0 8 10 1 0 8 11 1 0 2 12 1 0 3 13 1 0 5 7 1 0 1 14 1 0 M END
Cc1c(O)cc2c(c1C)OC(C)(C)C2
[C][C][=C][Branch1][C][O][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2]
InChI=1S/C12H16O2/c1-7-8(2)11-9(5-10(7)13)6-12(3,4)14-11/h5,13H,6H2,1-4H3
US07314693-20080101-C00655
1380.cdx ChemDraw05170510412D 14 15 0 0 0 0 0 0 0 0999 V2000 -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 -1.4289 -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 0.0000 -0.4125 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 1.4289 -0.4125 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 0.7145 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.8250 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 -0.7145 1.6500 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 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 7 8 2 0 8 9 1 0 9 6 1 0 8 10 1 0 2 11 1 0 3 12 1 0 5 7 1 0 1 13 1 0 4 14 1 0 M END
Cc1cc2c(C)c(O)c(C)c(C)c2o1
[C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch2][O][Ring1][=N]
InChI=1S/C12H14O2/c1-6-5-10-9(4)11(13)7(2)8(3)12(10)14-6/h5,13H,1-4H3
US07314693-20080101-C00656
0025.cdx ChemDraw04300519052D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 -0.4125 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 -1.4289 0.4125 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 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.8250 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 -0.7145 -1.6500 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 0.7145 -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 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 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 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 5 8 1 0 6 9 1 0 3 10 1 0 1 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 2 1 0 13 15 1 0 13 16 1 0 M END
Cc1c(C)c2c(c(C)c1O)CCC(C)(C)S2
[C][C][=C][Branch1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][C][Branch1][C][C][Branch1][C][C][S][Ring1][N]
InChI=1S/C14H20OS/c1-8-9(2)13-11(10(3)12(8)15)6-7-14(4,5)16-13/h15H,6-7H2,1-5H3
US07314693-20080101-C00657
0026.cdx ChemDraw04300519052D 11 12 0 0 0 0 0 0 0 0999 V2000 -1.0717 0.4125 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 -0.8250 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 -0.8250 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 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.8250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 2 11 1 0 M END
Oc1ccc2c(c1)CCCS2
[O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][S][Ring1][#Branch1]
InChI=1S/C9H10OS/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6,10H,1-2,5H2
US07314693-20080101-C00658
0027.cdx ChemDraw04300519062D 16 17 0 0 0 0 0 0 0 0999 V2000 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 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 -0.8250 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 -0.8250 0.0000 O 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 1.6500 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 -0.4125 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 0.8250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6592 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 5 8 1 0 6 9 1 0 3 10 1 0 1 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 2 1 0 11 15 1 0 11 16 1 0 M END
Cc1c(C)c2c(c(C)c1O)C(C)(C)CCS2
[C][C][=C][Branch1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][=C][Ring1][Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][S][Ring1][N]
InChI=1S/C14H20OS/c1-8-9(2)13-11(10(3)12(8)15)14(4,5)6-7-16-13/h15H,6-7H2,1-5H3
US07314693-20080101-C00659
0028.cdx ChemDraw04300519062D 14 15 0 0 0 0 0 0 0 0999 V2000 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 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 -0.8250 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 -0.8250 0.0000 O 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 1.6500 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 -0.4125 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 0.8250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 5 8 1 0 6 9 1 0 3 10 1 0 1 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 2 1 0 M END
Cc1c(C)c2c(c(C)c1O)CCCS2
[C][C][=C][Branch1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][C][S][Ring1][#Branch2]
InChI=1S/C12H16OS/c1-7-8(2)12-10(5-4-6-14-12)9(3)11(7)13/h13H,4-6H2,1-3H3
US07314693-20080101-C00660
0029.cdx ChemDraw04300519072D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 -0.4125 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 -1.4289 0.4125 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 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.8250 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 -0.7145 -1.6500 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 0.7145 -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 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 5 8 1 0 6 9 1 0 3 10 1 0 1 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 2 1 0 13 15 1 0 M END
Cc1c(C)c2c(c(C)c1O)CCC(C)S2
[C][C][=C][Branch1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][C][Branch1][C][C][S][Ring1][O]
InChI=1S/C13H18OS/c1-7-5-6-11-10(4)12(14)8(2)9(3)13(11)15-7/h7,14H,5-6H2,1-4H3
US07314693-20080101-C00661
0030.cdx ChemDraw04300519072D 12 13 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 -1.0717 0.0000 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 0.0000 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 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 1.7862 0.0000 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 S 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 -0.3572 -1.2375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 2 11 1 0 3 12 1 0 M END
Oc1ccc2c(c1Br)CCCS2
[O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][Br][C][C][C][S][Ring1][Branch2]
InChI=1S/C9H9BrOS/c10-9-6-2-1-5-12-8(6)4-3-7(9)11/h3-4,11H,1-2,5H2
US07314693-20080101-C00662
0031.cdx ChemDraw04300519092D 19 20 0 0 0 0 0 0 0 0999 V2000 -0.5359 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5359 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2503 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9648 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9648 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2503 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6793 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6793 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2503 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2503 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1786 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8931 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8931 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1786 0.8250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6076 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2503 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5359 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9648 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6793 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 5 8 1 0 6 9 1 0 3 10 1 0 1 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 2 1 0 13 15 1 0 13 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 16 17 18 19 M SBL 1 1 17 M SMT 1 COOCH3 M SBV 1 17 -2.8386 4.8279 M END
COC(=O)C1(C)CCc2c(C)c(O)c(C)c(C)c2S1
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch2][S][Ring1][#C]
InChI=1S/C15H20O3S/c1-8-9(2)13-11(10(3)12(8)16)6-7-15(4,19-13)14(17)18-5/h16H,6-7H2,1-5H3
US07314693-20080101-C00663
0032.cdx ChemDraw04300519092D 18 19 0 0 0 0 0 0 0 0999 V2000 -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 -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 -1.7862 -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 -2.5006 0.8250 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 -1.0717 -1.6500 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 -0.8250 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 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 S 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 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 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 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 5 8 1 0 6 9 1 0 3 10 1 0 1 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 2 1 0 13 15 1 0 13 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 -2.3028 5.0341 M END
Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)O)S2
[C][C][=C][Branch1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][C][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][S][Ring1][=C]
InChI=1S/C14H18O3S/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h15H,5-6H2,1-4H3,(H,16,17)
US07314693-20080101-C00666
0035.cdx ChemDraw04300519152D 15 16 0 0 0 0 0 0 0 0999 V2000 -1.0717 0.6187 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 -0.6187 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 0.6187 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 1.0717 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.0313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.4437 0.0000 Br 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 O 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 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 2 11 1 0 3 12 1 0 10 13 1 0 13 14 2 0 13 15 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 13 14 15 M SBL 1 1 14 M SMT 1 COCH3 M SBV 1 14 -2.1824 4.7085 M END
CC(=O)N1CCCc2c1ccc(O)c2Br
[C][C][=Branch1][C][=O][N][C][C][C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][Br]
InChI=1S/C11H12BrNO2/c1-7(14)13-6-2-3-8-9(13)4-5-10(15)11(8)12/h4-5,15H,2-3,6H2,1H3
US07314693-20080101-C00667
0036.cdx ChemDraw04300519152D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.0717 0.4125 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 -0.8250 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 -0.8250 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 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.8250 0.0000 O 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 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 1.7862 0.8250 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 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 2 11 1 0 3 12 1 0 6 13 1 0 10 14 1 0 14 15 2 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 15 M SMT 1 COCH3 M SBV 1 15 -2.1824 4.5022 M END
CC(=O)N1CCCc2c(C)c(O)cc(C)c21
[C][C][=Branch1][C][=O][N][C][C][C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][C][Branch1][C][C][=C][Ring1][=Branch2][Ring1][=N]
InChI=1S/C13H17NO2/c1-8-7-12(16)9(2)11-5-4-6-14(10(3)15)13(8)11/h7,16H,4-6H2,1-3H3
US07314693-20080101-C00668
0037.cdx ChemDraw04300519162D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.0717 0.0000 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 -1.2375 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 0.0000 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 -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 1.7862 0.0000 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 -1.7862 -1.2375 0.0000 O 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 -1.7862 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 1.7862 0.4125 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 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 2 11 1 0 6 12 1 0 1 13 1 0 10 14 1 0 14 15 2 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 15 M SMT 1 COCH3 M SBV 1 15 -2.3028 4.2525 M END
CC(=O)N1CCCc2cc(O)c(C)c(C)c21
[C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][Branch1][C][O][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][=Branch2][Ring1][=N]
InChI=1S/C13H17NO2/c1-8-9(2)13-11(7-12(8)16)5-4-6-14(13)10(3)15/h7,16H,4-6H2,1-3H3
US07314693-20080101-C00669
0038.cdx ChemDraw04300519162D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.0717 0.4125 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 -0.8250 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 -0.8250 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 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.8250 0.0000 O 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 -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 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 1.7862 0.8250 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 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 2 11 1 0 6 12 1 0 1 13 1 0 3 14 1 0 10 15 1 0 15 16 2 0 15 17 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 15 16 17 M SBL 1 1 16 M SMT 1 COCH3 M SBV 1 16 -2.3028 4.6650 M END
CC(=O)N1CCCc2c(C)c(O)c(C)c(C)c21
[C][C][=Branch1][C][=O][N][C][C][C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch2][Ring1][=C]
InChI=1S/C14H19NO2/c1-8-9(2)14(17)10(3)12-6-5-7-15(11(4)16)13(8)12/h17H,5-7H2,1-4H3
US07314693-20080101-C00670
0039.cdx ChemDraw04300519172D 13 14 0 0 0 0 0 0 0 0999 V2000 -1.0717 0.0000 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 -1.2375 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 0.0000 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 -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 1.7862 0.0000 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 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 10 11 1 0 2 12 1 0 1 13 1 0 M END
CN1CCCc2cc(O)c(Br)cc21
[C][N][C][C][C][C][=C][C][Branch1][C][O][=C][Branch1][C][Br][C][=C][Ring1][Branch2][Ring1][N]
InChI=1S/C10H12BrNO/c1-12-4-2-3-7-5-10(13)8(11)6-9(7)12/h5-6,13H,2-4H2,1H3
US07314693-20080101-C00671
0040.cdx ChemDraw04300519172D 12 13 0 0 0 0 0 0 0 0999 V2000 -1.0717 0.0000 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 -1.2375 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 0.0000 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 -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 1.7862 0.0000 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 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 5 1 0 10 11 1 0 2 12 1 0 M END
CN1CC=Cc2cc(O)ccc21
[C][N][C][C][=C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][O]
InChI=1S/C10H11NO/c1-11-6-2-3-8-7-9(12)4-5-10(8)11/h2-5,7,12H,6H2,1H3
US07314693-20080101-C00672
0041.cdx ChemDraw04300519182D 13 14 0 0 0 0 0 0 0 0999 V2000 -1.2503 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2503 -0.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5359 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1786 -0.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1786 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5359 0.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8931 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6076 -0.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6076 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8931 0.5156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9648 -1.1344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9648 0.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2503 1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 2 11 1 0 10 13 1 0 12 13 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 12 13 M SBL 1 1 13 M SMT 1 C2H5 M SBV 1 13 -2.0038 4.5619 M END
CCN1CCCc2cc(O)ccc21
[C][C][N][C][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][O]
InChI=1S/C11H15NO/c1-2-12-7-3-4-9-8-10(13)5-6-11(9)12/h5-6,8,13H,2-4,7H2,1H3
US07314693-20080101-C00673
0042.cdx ChemDraw04300519182D 12 13 0 0 0 0 0 0 0 0999 V2000 -1.0717 0.0000 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 -1.2375 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 0.0000 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 -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 1.7862 0.0000 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 1.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 10 11 1 0 2 12 1 0 M END
Oc1ccc2c(c1)CCCN2
[O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N][Ring1][#Branch1]
InChI=1S/C9H11NO/c11-8-3-4-9-7(6-8)2-1-5-10-9/h3-4,6,10-11H,1-2,5H2
US07314693-20080101-C00674
0043.cdx ChemDraw04300519192D 14 15 0 0 0 0 0 0 0 0999 V2000 -1.0717 0.4125 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 -0.8250 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 -0.8250 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 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.8250 0.0000 O 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 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 10 11 1 0 2 12 1 0 6 13 1 0 3 14 1 0 M END
Cc1cc(O)c(C)c2c1NCCC2
[C][C][=C][C][Branch1][C][O][=C][Branch1][C][C][C][=C][Ring1][Branch2][N][C][C][C][Ring1][=Branch1]
InChI=1S/C11H15NO/c1-7-6-10(13)8(2)9-4-3-5-12-11(7)9/h6,12-13H,3-5H2,1-2H3
US07314693-20080101-C00675
0044.cdx ChemDraw04300519192D 14 15 0 0 0 0 0 0 0 0999 V2000 -1.0717 0.0000 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 -1.2375 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 0.0000 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 -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 1.7862 0.0000 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 1.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.2375 0.0000 O 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 -1.7862 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 10 11 1 0 2 12 1 0 6 13 1 0 1 14 1 0 M END
Cc1c(O)cc2c(c1C)NCCC2
[C][C][=C][Branch1][C][O][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][C][N][C][C][C][Ring1][Branch2]
InChI=1S/C11H15NO/c1-7-8(2)11-9(6-10(7)13)4-3-5-12-11/h6,12-13H,3-5H2,1-2H3
US07314693-20080101-C00676
00045001.cdx ChemDraw10240711292D 25 27 0 0 0 0 0 0 0 0999 V2000 -2.9944 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9944 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2800 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5655 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5655 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2800 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1365 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1365 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 -0.3020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7089 -1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7257 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1382 -0.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9632 -0.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3757 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9632 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1382 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3757 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3469 0.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3469 1.6391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0614 0.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6372 -0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3517 -0.0957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9944 0.5783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7089 0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 2 11 1 0 12 13 4 0 13 14 4 0 14 15 4 0 15 16 4 0 16 17 4 0 17 12 4 0 16 18 1 0 10 19 1 0 12 21 1 0 19 20 2 0 19 21 1 0 1 23 1 0 22 23 1 0 15 24 1 0 24 25 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 19 20 21 M SBL 1 2 20 21 M SMT 1 COCH2 M SBV 1 20 -3.9761 4.4452 M SBV 1 21 -6.2673 3.2077 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 22 23 M SBL 2 1 24 M SMT 2 H3CO M SBV 2 24 -4.8375 3.9479 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 24 25 M SBL 3 1 26 M SMT 3 OCH3 M SBV 3 26 -3.8615 3.3844 M END
COc1ccc(CC(=O)N2CCCc3cc(O)c(OC)cc32)cc1O
[C][O][C][=C][C][=C][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][Branch1][C][O][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][Ring1][=N][C][=C][Ring2][Ring1][=Branch1][O]
InChI=1S/C19H21NO5/c1-24-17-6-5-12(8-15(17)21)9-19(23)20-7-3-4-13-10-16(22)18(25-2)11-14(13)20/h5-6,8,10-11,21-22H,3-4,7,9H2,1-2H3
US07314693-20080101-C00677
0046.cdx ChemDraw04300519212D 24 26 0 0 0 0 0 0 0 0999 V2000 -3.0623 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0623 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3478 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3478 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9189 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2044 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2044 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9189 -0.3020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7767 -1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7935 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -0.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 -0.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4435 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4435 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7050 -0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4195 -0.0957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0623 0.5783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7767 0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0883 0.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3242 1.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 2 11 1 0 12 13 4 0 13 14 4 0 14 15 4 0 15 16 4 0 16 17 4 0 17 12 4 0 16 18 1 0 1 20 1 0 19 20 1 0 15 21 1 0 21 22 1 0 10 23 1 0 12 24 1 0 23 24 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 20 M SMT 1 H3CO M SBV 1 20 -4.9053 3.9479 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 22 M SMT 2 OCH3 M SBV 2 22 -3.9293 3.3844 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 23 24 M SBL 3 2 24 25 M SMT 3 CH2CH2 M SBV 3 24 -3.5409 4.4468 M SBV 3 25 -5.6658 4.3363 M END
COc1ccc(CCN2CCCc3cc(O)c(OC)cc32)cc1O
[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][N][C][C][C][C][=C][C][Branch1][C][O][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][Ring1][=N][C][=C][Ring2][Ring1][Branch1][O]
InChI=1S/C19H23NO4/c1-23-18-6-5-13(10-16(18)21)7-9-20-8-3-4-14-11-17(22)19(24-2)12-15(14)20/h5-6,10-12,21-22H,3-4,7-9H2,1-2H3
US07314693-20080101-C00678
0047.cdx ChemDraw04300519222D 12 13 0 0 0 0 0 0 0 0999 V2000 -1.0717 0.0000 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 -1.2375 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 0.0000 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 -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 1.7862 0.0000 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 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 10 11 1 0 2 12 1 0 M END
CN1CCCc2cc(O)ccc21
[C][N][C][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][O]
InChI=1S/C10H13NO/c1-11-6-2-3-8-7-9(12)4-5-10(8)11/h4-5,7,12H,2-3,6H2,1H3
US07314693-20080101-C00679
0048.cdx ChemDraw04300519222D 15 16 0 0 0 0 0 0 0 0999 V2000 -1.0717 0.4125 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 -0.8250 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 -0.8250 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 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.8250 0.0000 O 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 -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 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 10 11 1 0 2 12 1 0 6 13 1 0 1 14 1 0 3 15 1 0 M END
Cc1c(C)c2c(c(C)c1O)CCCN2
[C][C][=C][Branch1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][C][N][Ring1][#Branch2]
InChI=1S/C12H17NO/c1-7-8(2)12(14)9(3)10-5-4-6-13-11(7)10/h13-14H,4-6H2,1-3H3
US07314693-20080101-C00680
0049.cdx ChemDraw04300519232D 15 16 0 0 0 0 0 0 0 0999 V2000 -1.4289 0.4125 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 -0.7145 -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 0.0000 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 -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 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.6500 0.0000 H 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 0.7145 -1.6500 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 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 5 1 0 10 11 1 0 2 12 1 0 7 13 1 0 9 14 1 0 9 15 1 0 M END
CC1=CC(C)(C)Nc2ccc(O)cc21
[C][C][=C][C][Branch1][C][C][Branch1][C][C][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Ring1][=N]
InChI=1S/C12H15NO/c1-8-7-12(2,3)13-11-5-4-9(14)6-10(8)11/h4-7,13-14H,1-3H3
US07314693-20080101-C00682
0051.cdx ChemDraw04300519252D 13 14 0 0 0 0 0 0 0 0999 V2000 -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 -1.2375 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 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 1.4289 0.0000 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 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.2375 0.0000 O 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 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 10 11 1 0 2 12 1 0 9 13 1 0 M END
CC1CCc2cc(O)ccc2N1
[C][C][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][N][Ring1][O]
InChI=1S/C10H13NO/c1-7-2-3-8-6-9(12)4-5-10(8)11-7/h4-7,11-12H,2-3H2,1H3
US07314693-20080101-C00683
0052.cdx ChemDraw04300519262D 15 16 0 0 0 0 0 0 0 0999 V2000 -1.4289 0.4125 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 -0.7145 -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 0.0000 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 -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 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.6500 0.0000 H 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 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 0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 10 11 1 0 2 12 1 0 9 13 1 0 9 14 1 0 7 15 1 0 M END
CC1CC(C)(C)Nc2ccc(O)cc21
[C][C][C][C][Branch1][C][C][Branch1][C][C][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Ring1][=N]
InChI=1S/C12H17NO/c1-8-7-12(2,3)13-11-5-4-9(14)6-10(8)11/h4-6,8,13-14H,7H2,1-3H3
US07314693-20080101-C00684
0053.cdx ChemDraw04300519272D 14 15 0 0 0 0 0 0 0 0999 V2000 -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.6188 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 -0.6188 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 0.6187 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 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.6187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.0313 0.0000 O 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 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 2 11 1 0 10 12 1 0 12 13 2 0 12 14 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 12 13 14 M SBL 1 1 13 M SMT 1 COCH3 M SBV 1 13 -2.1824 4.6895 M END
CC(=O)N1CCCc2cc(O)ccc21
[C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][O]
InChI=1S/C11H13NO2/c1-8(13)12-6-2-3-9-7-10(14)4-5-11(9)12/h4-5,7,14H,2-3,6H2,1H3
US07314693-20080101-C00686
0055.cdx ChemDraw04300519292D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.2503 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2503 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5359 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1786 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1786 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5359 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8931 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6076 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6076 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8931 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9648 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5359 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9648 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5359 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9648 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2503 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 2 11 1 0 6 12 1 0 1 13 1 0 3 14 1 0 10 16 1 0 15 16 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 15 16 M SBL 1 1 16 M SMT 1 C2H5 M SBV 1 16 -2.1523 5.0748 M END
CCN1CCCc2c(C)c(O)c(C)c(C)c21
[C][C][N][C][C][C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch2][Ring1][=C]
InChI=1S/C14H21NO/c1-5-15-8-6-7-12-11(4)14(16)10(3)9(2)13(12)15/h16H,5-8H2,1-4H3
US07314693-20080101-C00688
0057.cdx ChemDraw04300519312D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.8359 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8359 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1214 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1214 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3075 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3075 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3075 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5504 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1214 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9464 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0220 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 10 11 1 0 2 12 1 0 6 13 1 0 13 14 1 0 14 15 2 0 M END
C=CCc1cc(O)cc2c1N(C)CCC2
[C][=C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][C][C][Ring1][#Branch1]
InChI=1S/C13H17NO/c1-3-5-10-8-12(15)9-11-6-4-7-14(2)13(10)11/h3,8-9,15H,1,4-7H2,2H3
US07314693-20080101-C00689
0058.cdx ChemDraw04300519352D 29 32 0 0 0 0 0 0 0 0999 V2000 -1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.4750 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 -0.0000 -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 0.7145 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.0625 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 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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 0.7145 0.8250 0.0000 N 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 1.4289 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.4750 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 -0.0000 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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 0.7145 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 2.0625 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 -2.1434 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 5 1 0 10 11 1 0 2 12 1 0 7 13 1 0 9 14 1 0 9 15 1 0 11 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 4 0 21 16 1 0 17 22 1 0 17 23 1 0 19 24 1 0 20 25 4 0 25 26 4 0 26 27 4 0 27 28 4 0 28 21 4 0 26 29 1 0 M END
CC1=CC(C)(C)N(ON2c3ccc(O)cc3C(C)=CC2(C)C)c2ccc(O)cc21
[C][C][=C][C][Branch1][C][C][Branch1][C][C][N][Branch2][Ring1][#Branch2][O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][C][=C][C][Ring1][N][Branch1][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Ring2][Ring1][N]
InChI=1S/C24H28N2O3/c1-15-13-23(3,4)25(21-9-7-17(27)11-19(15)21)29-26-22-10-8-18(28)12-20(22)16(2)14-24(26,5)6/h7-14,27-28H,1-6H3
US07314693-20080101-C00690
0059.cdx ChemDraw04300519352D 29 32 0 0 0 0 0 0 0 0999 V2000 -1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.4750 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 -0.0000 -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 0.7145 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.0625 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 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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 0.7145 0.8250 0.0000 N 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 1.4289 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.4750 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 -0.0000 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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 0.7145 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 2.0625 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 -2.1434 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 10 11 1 0 2 12 1 0 7 13 1 0 9 14 1 0 9 15 1 0 11 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 4 0 21 16 1 0 17 22 1 0 17 23 1 0 19 24 1 0 20 25 4 0 25 26 4 0 26 27 4 0 27 28 4 0 28 21 4 0 26 29 1 0 M END
CC1CC(C)(C)N(ON2c3ccc(O)cc3C(C)CC2(C)C)c2ccc(O)cc21
[C][C][C][C][Branch1][C][C][Branch1][C][C][N][Branch2][Ring1][#Branch2][O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][C][C][C][Ring1][N][Branch1][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Ring2][Ring1][N]
InChI=1S/C24H32N2O3/c1-15-13-23(3,4)25(21-9-7-17(27)11-19(15)21)29-26-22-10-8-18(28)12-20(22)16(2)14-24(26,5)6/h7-12,15-16,27-28H,13-14H2,1-6H3
US07314693-20080101-C00691
0060.cdx ChemDraw04300519362D 32 35 0 0 0 0 0 0 0 0999 V2000 -1.1122 -1.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1122 -2.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3977 -2.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3168 -2.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3168 -1.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3977 -1.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0313 -2.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7457 -2.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7457 -1.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0313 -1.1196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8266 -2.7696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0313 0.5304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7457 0.9429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7457 1.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0313 2.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3168 1.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3168 0.9429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3977 2.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1122 1.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1122 0.9429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3977 0.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8266 2.1804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 1.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 2 11 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 4 0 17 12 1 0 16 18 4 0 18 19 4 0 19 20 4 0 20 21 4 0 21 17 4 0 19 22 1 0 10 23 1 0 12 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 10 23 24 25 26 27 28 29 30 31 32 M SBL 1 2 25 26 M SMT 1 (CH2)10 M SBV 1 25 -0.3962 8.2732 M SBV 1 26 -0.3962 6.6232 M END
CCCCCCCCCC(N1CCCc2cc(O)ccc21)N1CCCc2cc(O)ccc21
[C][C][C][C][C][C][C][C][C][C][Branch2][Ring1][C][N][C][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][O][N][C][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][O]
InChI=1S/C28H40N2O2/c1-2-3-4-5-6-7-8-13-28(29-18-9-11-22-20-24(31)14-16-26(22)29)30-19-10-12-23-21-25(32)15-17-27(23)30/h14-17,20-21,28,31-32H,2-13,18-19H2,1H3
US07314693-20080101-C00693
0062.cdx ChemDraw04300519392D 12 13 0 0 0 0 0 0 0 0999 V2000 0.0000 0.4125 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 1.4289 -0.4125 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 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.6500 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 -1.4289 0.4125 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 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 6 7 1 0 3 8 1 0 1 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 2 1 0 M END
Oc1ccc(O)c2c1CC=CC2
[O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][=C][C][Ring1][=Branch1]
InChI=1S/C10H10O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-2,5-6,11-12H,3-4H2
US07314693-20080101-C00694
0063.cdx ChemDraw04300519402D 14 15 0 0 0 0 0 0 0 0999 V2000 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 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 1.7862 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 1.0717 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.6500 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 -1.0717 0.4125 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 -0.8250 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 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 6 7 1 0 3 8 1 0 1 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 2 1 0 10 13 1 0 11 14 1 0 M END
CC1=C(C)Cc2c(O)ccc(O)c2C1
[C][C][=C][Branch1][C][C][C][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N]
InChI=1S/C12H14O2/c1-7-5-9-10(6-8(7)2)12(14)4-3-11(9)13/h3-4,13-14H,5-6H2,1-2H3
US07314693-20080101-C00695
0064.cdx ChemDraw04300519402D 14 15 0 0 0 0 0 0 0 0999 V2000 -0.7145 0.4125 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 -0.0000 -0.8250 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 0.4125 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 -0.0000 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.6500 0.0000 O 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 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 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 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 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 6 7 1 0 3 8 1 0 1 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 2 1 0 5 13 1 0 13 14 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 13 14 M SBL 1 1 14 M SMT 1 OCH3 M SBV 1 14 -1.4470 5.0314 M END
COc1cc(O)c2c(c1O)CC=CC2
[C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][O][C][C][=C][C][Ring1][Branch2]
InChI=1S/C11H12O3/c1-14-10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-3,6,12-13H,4-5H2,1H3
US07314693-20080101-C00696
0065.cdx ChemDraw04300519402D 13 14 0 0 0 0 0 0 0 0999 V2000 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 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 1.7862 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 1.0717 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.6500 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 -1.0717 0.4125 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 -0.8250 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 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 6 7 1 0 3 8 1 0 1 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 2 1 0 11 13 1 0 M END
CC1=CCc2c(O)ccc(O)c2C1
[C][C][=C][C][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][N]
InChI=1S/C11H12O2/c1-7-2-3-8-9(6-7)11(13)5-4-10(8)12/h2,4-5,12-13H,3,6H2,1H3
US07314693-20080101-C00697
0066.cdx ChemDraw04300519412D 13 14 0 0 0 0 0 0 0 0999 V2000 0.0000 0.4125 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 1.4289 -0.4125 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 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.6500 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 -1.4289 0.4125 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 -0.7145 -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 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 6 7 1 0 3 8 1 0 1 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 2 1 0 12 13 1 0 M END
CC1C=CCc2c(O)ccc(O)c21
[C][C][C][=C][C][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][Ring1][N]
InChI=1S/C11H12O2/c1-7-3-2-4-8-9(12)5-6-10(13)11(7)8/h2-3,5-7,12-13H,4H2,1H3
US07314693-20080101-C00698
0067.cdx Mrv0541 08031215422D 15 16 0 0 0 0 999 V2000 1.9022 0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9022 -0.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -0.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3312 -0.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3312 0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 1.8959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -1.4041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1877 1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4733 0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4733 -0.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1877 -0.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2562 -0.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4246 -0.7001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0992 -0.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 0 0 0 2 3 4 0 0 0 0 3 4 4 0 0 0 0 4 5 4 0 0 0 0 5 6 4 0 0 0 0 6 1 4 0 0 0 0 6 7 1 0 0 0 0 3 8 1 0 0 0 0 1 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 2 1 0 0 0 0 11 14 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 M STY 1 1 SUP M SAL 1 3 13 14 15 M SBL 1 1 14 M SMT 1 H5C2O M SDS EXP 1 1 M END
CCOC1=CCc2c(O)ccc(O)c2C1
[C][C][O][C][=C][C][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][N]
InChI=1S/C12H14O3/c1-2-15-8-3-4-9-10(7-8)12(14)6-5-11(9)13/h3,5-6,13-14H,2,4,7H2,1H3
US07314693-20080101-C00700
0069.cdx ChemDraw04300519442D 15 16 0 0 0 0 0 0 0 0999 V2000 0.8927 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8927 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6072 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3216 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3216 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6072 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6072 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6072 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1782 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5363 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5363 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1782 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2507 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3216 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2507 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 6 7 1 0 3 8 1 0 1 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 2 1 0 11 13 1 0 13 14 1 0 13 15 1 0 M END
CC(O)C1=CCc2c(O)ccc(O)c2C1
[C][C][Branch1][C][O][C][=C][C][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][N]
InChI=1S/C12H14O3/c1-7(13)8-2-3-9-10(6-8)12(15)5-4-11(9)14/h2,4-5,7,13-15H,3,6H2,1H3
US07314693-20080101-C00701
0070.cdx ChemDraw04300520122D 16 17 0 0 0 0 0 0 0 0999 V2000 -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 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 0.8250 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 0.3572 -1.6500 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 -1.7862 -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 -2.5006 0.8250 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 0.8250 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 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 6 7 1 0 3 8 1 0 1 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 2 1 0 10 13 1 0 11 14 1 0 5 15 1 0 15 16 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 15 16 M SBL 1 1 16 M SMT 1 OCH3 M SBV 1 16 -2.3028 5.0043 M END
COc1cc(O)c2c(c1O)CC(C)=C(C)C2
[C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][O][C][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][#Branch2]
InChI=1S/C13H16O3/c1-7-4-9-10(5-8(7)2)13(15)12(16-3)6-11(9)14/h6,14-15H,4-5H2,1-3H3
US07314693-20080101-C00702
0071.cdx ChemDraw04300520122D 18 19 0 0 0 0 0 0 0 0999 V2000 -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 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 0.8250 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 0.3572 -1.6500 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 -1.7862 -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 -2.5006 0.8250 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 1.4289 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.8250 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 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 6 7 1 0 3 8 1 0 1 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 2 1 0 10 13 1 0 11 14 1 0 4 15 1 0 15 16 1 0 5 17 1 0 17 18 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 15 16 M SBL 1 1 16 M SMT 1 OCH3 M SBV 1 16 -2.6600 4.3855 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 17 18 M SBL 2 1 18 M SMT 2 OCH3 M SBV 2 18 -2.3028 5.0043 M END
COc1c(O)c2c(c(O)c1OC)CC(C)=C(C)C2
[C][O][C][=C][Branch1][C][O][C][=C][Branch1][#Branch2][C][Branch1][C][O][=C][Ring1][Branch2][O][C][C][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][=N]
InChI=1S/C14H18O4/c1-7-5-9-10(6-8(7)2)12(16)14(18-4)13(17-3)11(9)15/h15-16H,5-6H2,1-4H3
US07314693-20080101-C00703
0072.cdx ChemDraw04300520132D 13 14 0 0 0 0 0 0 0 0999 V2000 -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 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 0.8250 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 0.3572 -1.6500 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 -1.7862 -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 1.7862 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 2 3 4 0 3 4 4 0 4 5 4 0 5 6 4 0 6 1 4 0 6 7 1 0 3 8 1 0 1 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 2 1 0 5 13 1 0 M END
Cc1cc(O)c2c(c1O)CC=CC2
[C][C][=C][C][Branch1][C][O][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][O][C][C][=C][C][Ring1][Branch2]
InChI=1S/C11H12O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-3,6,12-13H,4-5H2,1H3