0 B11R1.166 CC(C)=C1CC[C@H](C)CC1=O 23142 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O D91752 [0,0,0,0,0,0|0,0,4]=4 2 B11R1.166 CC(C)[C@H]1CC[C@H](C)C[C@@H]1O 76519 [0,0,0,0,0,0|0,0,4]=4 3 B11R1.166 CC(C)[C@H]1CC[C@H](C)C[C@@H]1O D70313 [0,0,0,0,0,0|0,0,4]=4 4 B11R1.166 CC1=CC(=O)[C@H](C(C)C)CC1 D92155 [0,0,0,0,0,0|0,0,4]=4 5 B11R1.166 CC1CCC(C(C)C)C(=O)C1 E70428 [0,0,0,0,0,0|0,0,2]=2 6 B11R1.166 CC1CCC(C(C)C)C(O)C1 95722 [0,0,0,0,0,0|0,0,4]=4 7 B10R1.61 CC(=O)[C@@H]1CCCCC1=O 35255 [1,0,0,0,0,0|1,0,1]=3 8 B10R1.61 O=C(O)C1=C(Br)CCCC1 D86632 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.126 CC1CCC(C(C)(C)S)C(=O)C1 D91569 [0,1,0,0,0,0|0,0,2]=3 10 B10R0.3 CC(C)=CCC[C@H](C)CC=O D89409 [0,0,1,0,0,0|0,0,0]=1 11 B10R0.3 CC(C)=CCC[C@H](C)CC=O P50009 [0,0,1,0,0,0|0,0,0]=1 12 B10R0.3 CC(C)=CCC[C@H](C)CCO F16553 [0,0,1,0,0,0|0,0,2]=3 13 B10R0.3 CC(C)=CCC\C(C)=C\C=O 43638 [0,0,1,0,0,0|0,0,2]=3 14 B10R0.101 CCOC(=O)[C@@H](CC)C(C)=O O11754 [0,0,1,0,0,0|2,0,1]=4 15 B9R0.1 CC(C)=CCC[C@H](C)C=O D89853 [1,0,1,0,0,0|0,0,0]=2 16 B9R0.23 CON(C)C(=O)CC(C)C 71935 [1,0,1,0,0,0|2,0,0]=4 17 B9R0.53 CC(=O)CC(=O)CC(C)C D91362 [1,0,1,0,0,0|1,0,1]=4 18 B9R0.53 CC(C)=CC(=O)C=C(C)C F12420 [1,0,1,0,0,0|0,0,2]=4 19 B9R0.53 C\C(N)=C\C(=O)OC(C)C 43947 [1,0,1,0,0,0|2,0,0]=4 20 B9R1.6 O=C(O)C1=CCCCC1 22410 [2,0,0,0,0,0|2,0,0]=4 21 B9R1.15 CC[C@H]1CCCCC1=O D97760 [2,0,0,0,0,0|0,0,2]=4 22 B9R1.15 CO[C@H]1CCCCC1=O P19682 [2,0,0,0,0,0|1,0,1]=4 23 B9R1.69 CN1CC[C@H](N)CC1=O 37085 [2,0,0,0,0,0|2,0,0]=4 24 B11R0.6 CC(C)=CCC[C@H](C)CC(=O)O D89451 [0,1,1,0,0,0|0,0,0]=2 25 B11R0.6 CC(C)=CCC[C@H](C)CC(=O)O W19706 [0,1,1,0,0,0|0,0,0]=2 26 B11R0.180 C[C@H](CC=O)CCCC(C)(C)O D70299 [0,1,1,0,0,0|0,0,2]=4 27 B11R1.87 CC(C)(C)[C@@H]1CCCCC1=O A10210 [1,1,0,0,0,0|0,0,2]=4 28 B11R1.222 COC(=O)[C@@H]1CCCCC1=O F11965 [1,1,0,0,0,0|1,0,1]=4 29 B13R1.1782 COC(=O)[C@@H]1CCC(C)(C)CC1=O 52684 [0,2,0,0,0,0|1,0,1]=4 30 B13R1.8379 CC(O)=C1C(=O)CC(C)(C)CC1=O 66010 [0,2,0,0,0,0|1,0,1]=4 31 B13R1.1511 CCOC(=O)C1CCC(C)CC1=O 90782 [0,2,0,0,0,0|1,0,1]=4 32 B11R1.157 CC(C)=CC1CC(C)CCO1 D91592 [0,0,1,1,0,0|0,0,2]=4 33 B11R1.1361 CC1=C(O)C(=O)CC(C)(C)C1 H11385 [0,0,1,1,0,0|1,0,0]=3 34 B11R1.1361 C[C@H]1CC(C)(C)CC(=O)C1=O D71203 [0,0,1,1,0,0|1,0,1]=4 35 B11R1.143 CC(=O)N1CCCCCC1=O D78073 [0,0,1,1,0,0|2,0,0]=4 36 B11R1.1180 CCC1(C)CC(=O)NC(=O)C1 F17053 [0,0,1,1,0,0|2,0,0]=4 37 B11R1.199 CCOC(=O)C1=C(N)CCC1 AT23521 [0,0,1,1,0,0|2,0,0]=4 38 B9R1.41 CC(=O)N1CCCC1=O H11367 [1,0,0,0,1,0|2,0,0]=4 39 B11R1.86 CN(C)C[C@H]1CCCCC1=O 77320 [1,0,0,0,0,1|1,0,1]=4