0 B11R1.166 CC(=O)C1CCC(=CC1=O)C S357286 [0,0,0,0,0,0|1,0,3]=4 1 B11R1.166 CC(C)C1=CC[C@H](CC1=O)C T203688 [0,0,0,0,0,0|0,0,2]=2 2 B11R1.166 CC(C)[C@@H]1CC[C@H](C[C@H]1N)C PH015551 [0,0,0,0,0,0|1,0,3]=4 3 B10R1.13 CC(C)C1=CCC(=O)CC1 T203416 [1,0,0,0,0,0|1,0,2]=4 4 B10R1.13 CC1CC=C(CC1)B(O)O CDS009942 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.61 CC(C)N1CCCNC1=O PH009682 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.61 O=C(O)C1CCCCC1=O CDS021562 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.57 CC1CCC(/C(=N/O)/C1)C(C)C T176176 [0,1,0,0,0,0|0,0,3]=4 8 B10R0.3 CC(C)CCCC(C)CC=O CDS014268 [0,0,1,0,0,0|0,0,2]=3 9 B10R0.17 CCCCC(C(=O)C)C(C)C S351725 [0,0,1,0,0,0|0,0,2]=3 10 B10R0.17 CCCCC(C(=O)O)C(C)C PH010077 [0,0,1,0,0,0|1,0,2]=4 11 B10R0.84 CC(=C(CO)CCC(C)C)C S351598 [0,0,1,0,0,0|0,0,2]=3 12 B12R2.766 C[C@H]1CC(=O)C2CC1C2(C)C T258598 [0,0,0,1,0,0|0,0,2]=3 13 B12R2.2427 O=C(O)C12CCC(C1)CC2=O T295140 [0,0,0,1,0,0|2,0,1]=4 14 B12R2.2764 CC12CCC(C(=O)C1)C(=O)C2 T235474 [0,0,0,1,0,0|1,0,1]=3 15 B10R1.59 CC(C)N1CC(CC1=O)N CBR02340 [0,0,0,0,1,0|2,0,1]=4 16 B12R1.1218 CC1CCC(NC(=O)C1)C(C)C T176168 [0,0,0,0,0,1|0,0,2]=3 17 B9R0.1 [C@@H](O)(CO)CCC=C(C)C T232688 [1,0,1,0,0,0|1,0,1]=4 18 B9R0.7 CC(=O)C(=O)OCC(C)C PH008589 [1,0,1,0,0,0|2,0,0]=4 19 B9R0.7 CC(C)CCC(=O)C(C)C S450499 [1,0,1,0,0,0|0,0,1]=3 20 B9R0.53 C/C(=C/C(=O)OC(C)C)/N R276480 [1,0,1,0,0,0|2,0,0]=4 21 B9R0.13 C(=C(\CC)/C(=O)C)\CCC S129674 [1,0,1,0,0,0|1,0,0]=3 22 B9R0.4 CCCCC(=O)CC(=O)C CDS001230 [1,0,1,0,0,0|1,0,1]=4 23 B9R0.4 CCCCC(=O)CC(=O)C S839590 [1,0,1,0,0,0|1,0,1]=4 24 B9R0.37 CCCC(=O)C(CC)CC S504769 [1,0,1,0,0,0|0,0,2]=4 25 B9R1.6 CC(N)C1=CCCCC1 CBR01205 [2,0,0,0,0,0|1,0,1]=4 26 B9R1.6 CC(O)C1=CCCCC1 PH015453 [2,0,0,0,0,0|1,0,1]=4 27 B11R0.6 CC(=CCCC(C)CC(=O)N)C S798355 [0,1,1,0,0,0|0,0,0]=2 28 B11R0.6 CC(=CCCC(C)CC(C)O)C S311332 [0,1,1,0,0,0|0,0,2]=4 29 B11R0.6 CC(=O)O[C@@H](C)CCC=C(C)C T291226 [0,1,1,0,0,0|1,0,0]=3 30 B11R0.174 C/C(=C/CC[C@H](C)CCO)/CO T239585 [0,1,1,0,0,0|0,0,2]=4 31 B11R0.33 CC(=CC(=O)CC(O)C(C)C)C S843520 [0,1,1,0,0,0|1,0,0]=3 32 B11R1.22 COC(=O)C1=CCN(CC1)C PH003262 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.87 CC(C)(C)C1CCCCC1=O S576697 [1,1,0,0,0,0|0,0,2]=4 34 B11R1.87 C[Si](C)(C)C1=CCCCC1=O T293024 [1,1,0,0,0,0|0,1,1]=4 35 B11R1.50 CC(C)N1CC(CC1=O)CO CBR01636 [0,1,0,0,1,0|1,0,1]=4 36 B11R1.488 CC(=C1CC(CC1O)(C)C)C T274291 [0,1,0,0,1,0|0,0,2]=4 37 B13R1.8379 CC(=C1C(=O)CC(CC1=O)(C)C)N S896675 [0,2,0,0,0,0|1,0,1]=4 38 B11R1.1361 CC1=C(CC(CC1=O)(C)C)N S897353 [0,0,1,1,0,0|1,0,0]=3 39 B11R1.1361 CC1CC(CC(=O)C1=O)(C)C S17354 [0,0,1,1,0,0|1,0,1]=4 40 B11R1.1361 CN1C(=O)CC(CC1=O)(C)C PH009394 [0,0,1,1,0,0|2,0,0]=4 41 B11R2.732 CC1(C2CCC1C(=O)C2)C S461490 [1,0,0,1,0,0|0,0,2]=4 42 B11R2.739 CC1(CC2CC(=O)C1C2)C T245739 [0,0,0,1,1,0|0,0,2]=4 43 B13R2.12760 [C@H]12CC(=C)[C@H]1C(=O)CC(C2)(C)C T294705 [0,1,0,1,0,0|0,0,2]=4 44 B13R2.11642 CC1=COC2=C1C(=O)CC(C2)C T262455 [0,1,0,1,0,0|0,0,2]=4 45 B13R2.662 CC1CCC2=C(C1)SC=C2CO TMT00580 [0,1,0,1,0,0|0,1,1]=4 46 B13R2.1086 COC(=O)C12CCC(C1)CC2=O T228982 [0,1,0,1,0,0|1,0,1]=4 47 B13R3.2060 C=C1C2CCC3(C1C3C2=O)C T297844 [0,0,0,2,0,0|0,0,2]=4 48 B9R0.42 C=C(C)C(=O)OC(C)CC CDS010603 [0,0,1,0,1,0|1,0,1]=4 49 B9R1.41 CC(=O)C1=C(CCC1)C R426032 [1,0,0,0,1,0|2,0,0]=4 50 B9R1.41 CC(C)C1CCCC1=O CDS023294 [1,0,0,0,1,0|0,0,2]=4 51 B11R1.86 CN(C)CC1CCCCC1=O S703451 [1,0,0,0,0,1|1,0,1]=4 52 B11R1.86 CN(C)CC1CCCCC1=O S935484 [1,0,0,0,0,1|1,0,1]=4