0 B11R2.533 [C@H]12C[C@H](C1(C)C)CCC2=O R229253 [0,0,0,0,0,0|1,0,0]=1 1 B12R2.766 C[C@H]1CC(=O)C2CC1C2(C)C T258598 [0,1,0,0,0,0|1,0,0]=2 2 B12R2.1957 C=CC1=CCC2CC1C2(C)C T245763 [0,1,0,0,0,0|0,0,1]=2 3 B12R2.1957 CC1(C2CC=C(C1C2)CBr)C T248487 [0,1,0,0,0,0|0,0,2]=3 4 B12R2.1957 CC1(C2CCC(C1C2)CO)C S455504 [0,1,0,0,0,0|0,0,2]=3 5 B12R2.2863 C=C1C(=O)CC2CC1C2(C)C T272655 [0,1,0,0,0,0|0,0,1]=2 6 B12R2.2863 CC1(C2CC(C(=O)C1C2)Br)C T248517 [0,1,0,0,0,0|1,0,0]=2 7 B10R1.13 CC(C)C1=CCC(=O)CC1 T203416 [0,0,1,0,0,0|1,0,2]=4 8 B10R1.13 CC(C)N1CCC(=O)CC1 S563617 [0,0,1,0,0,0|2,0,0]=3 9 B10R1.13 CC(C)N1CCC(CC1)N CDS007349 [0,0,1,0,0,0|2,0,1]=4 10 B10R1.13 CC(C)N1CCC(CC1)N L480754 [0,0,1,0,0,0|2,0,1]=4 11 B10R1.13 CC(C)[C@@H]1CCC(=O)OC1 T295736 [0,0,1,0,0,0|2,0,0]=3 12 B10R1.13 CC1CCC(CC1)C(C)O PH000605 [0,0,1,0,0,0|1,0,2]=4 13 B10R1.13 CN(C)C1CCC(CC1)N CDS010169 [0,0,1,0,0,0|2,0,1]=4 14 B10R1.13 CN(C)N1CCC(=O)CC1 CBR01632 [0,0,1,0,0,0|3,0,0]=4 15 B10R1.61 CC(C)N1CCCNC1=O PH009682 [0,0,1,0,0,0|3,0,0]=4 16 B10R1.61 CC(O)C1CCCCC1O S362417 [0,0,1,0,0,0|2,0,1]=4 17 B10R1.61 CC1=CCCCC1C(C)O T180114 [0,0,1,0,0,0|1,0,2]=4 18 B12R2.1088 C=C1C=CCC2CC1C2(C)C T213179 [0,0,0,0,0,1|0,0,1]=2 19 B12R2.1088 CC1(C2CCCC(=O)C1C2)C T213063 [0,0,0,0,0,1|1,0,0]=2 20 B9R1.1 CCC1CCC(CC1)N CDS002619 [1,0,1,0,0,0|1,0,1]=4 21 B9R1.1 CCC1CCC(CC1)O S504939 [1,0,1,0,0,0|1,0,1]=4 22 B9R1.1 CC[C@H]1CC[C@@H](CC1)O CDS000137 [1,0,1,0,0,0|1,0,1]=4 23 B9R1.1 O=C1CCC(CC1)CO CDS017814 [1,0,1,0,0,0|2,0,0]=4 24 B9R1.6 CC(C)C1CCCCN1 PH003734 [1,0,1,0,0,0|1,0,0]=3 25 B9R1.6 CC(C)C1CCNCC1 CDS000108 [1,0,1,0,0,0|1,0,0]=3 26 B9R1.6 CC(C)C1OCCCO1 S864714 [1,0,1,0,0,0|2,0,0]=4 27 B9R1.6 CC(N)C1=CCCCC1 CBR01205 [1,0,1,0,0,0|1,0,1]=4 28 B9R1.6 CC(O)C1=CCCCC1 PH015453 [1,0,1,0,0,0|1,0,1]=4 29 B9R1.6 CC(O)C1C=CCCC1 T181412 [1,0,1,0,0,0|1,0,1]=4 30 B9R1.6 CN(C)C1CCNCC1 CDS003977 [1,0,1,0,0,0|2,0,0]=4 31 B9R1.6 N1CCC(CC1)N(C)C S346675 [1,0,1,0,0,0|2,0,0]=4 32 B9R1.40 CC1(CNCCC1O)C PHB00253 [1,0,1,0,0,0|2,0,0]=4 33 B9R1.66 CC1(CCCC(C1)O)C S480940 [1,0,1,0,0,0|1,0,1]=4 34 B9R1.3 CC1CCCC(=O)C1C CDS023514 [1,0,1,0,0,0|1,0,0]=3 35 B9R1.3 CC1CCCC(C1C)N PH010573 [1,0,1,0,0,0|1,0,1]=4 36 B9R2.19 O=C1CCC2CC1O2 T173428 [2,0,0,0,0,0|2,0,0]=4 37 B11R1.3 C(=O)C1CCN(CC1)C(C)C CBR01031 [0,1,1,0,0,0|1,0,1]=4 38 B11R1.3 CC(C)C1CCC(CC1)NN PH019449 [0,1,1,0,0,0|1,0,1]=4 39 B11R1.19 CC(C)(C)C1CCC(CC1)O S953636 [0,1,1,0,0,0|1,0,1]=4 40 B11R1.19 C[Si](C)(C)C1CCC(=O)CC1 S764620 [0,1,1,0,0,0|1,1,0]=4 41 B11R1.22 [C@@H]1(CC=C(CC1)C)[C@@H](C)CO PH011482 [0,1,1,0,0,0|0,0,2]=4 42 B11R1.166 CC(C)[C@@H]1CC[C@H](C[C@H]1N)C PH015551 [0,1,1,0,0,0|0,0,2]=4 43 B11R1.87 CC(C)(C)C1CCCCC1=O S576697 [0,1,1,0,0,0|1,0,0]=3 44 B11R1.222 COC(C)C1CCCC=C1C T183830 [0,1,1,0,0,0|0,0,2]=4 45 B13R2.13052 CC1(C2CC=C(C(=O)C1C2)Br)C T213225 [0,1,0,0,0,1|1,0,1]=4 46 B13R2.13052 CC1(C2CC=C([C@H](C1C2)O)Br)C T213144 [0,1,0,0,0,1|1,0,1]=4 47 B13R2.13052 CC1=CCC2CC(C1=O)C2(C)C T213403 [0,1,0,0,0,1|0,0,2]=4 48 B13R2.12104 C1(CC(C2CC1C2(C)C)(C)C)O T282103 [0,2,0,0,0,0|0,0,2]=4 49 B13R2.8511 CC1(C2CCC(C1C2)(O)CO)C T213462 [0,2,0,0,0,0|0,0,2]=4 50 B13R2.6334 CC1C(CC2CC1C2(C)C)CN S457108 [0,2,0,0,0,0|0,0,2]=4 51 B13R2.6334 CC1C(CC2CC1C2(C)C)CN S457884 [0,2,0,0,0,0|0,0,2]=4 52 B9R0.1 CCC(C)CCCC(C)C S765406 [0,0,2,0,0,0|0,0,2]=4 53 B9R0.60 C=CCC(C)(C)C(=O)CC S312657 [0,0,2,0,0,0|1,0,1]=4 54 B11R2.732 CC1(C2CCC1C(=O)C2)C S461490 [0,0,1,1,0,0|1,0,0]=3 55 B11R2.1753 CC1(NC(=O)C2C1(C2)C)C T174335 [0,0,1,1,0,0|2,0,0]=4 56 B11R2.1753 CC1(OC(=O)C2C1(C2)C)C T174378 [0,0,1,1,0,0|2,0,0]=4 57 B11R2.1506 CC1(C2C=CC=CC1C2)C T213276 [0,0,1,1,0,0|0,0,2]=4 58 B11R2.739 C1(CC2CC1C(C2)(C)C)O T258679 [0,0,1,1,0,0|1,0,1]=4 59 B11R2.739 CC1(CC2CC(=O)C1C2)C T245739 [0,0,1,1,0,0|1,0,0]=3 60 B9R1.41 CC(C)C1CCCC1=O CDS023294 [0,0,1,0,1,0|1,0,0]=3 61 B9R1.38 CC1CC(=O)NC1(C)C CBR01605 [0,0,1,0,1,0|2,0,0]=4 62 B9R1.185 CCC(=O)C1CC1(C)C CDS023554 [0,0,1,0,1,0|1,0,0]=3 63 B11R1.565 CC1CCNC(CC1)C(C)C T176184 [0,0,1,0,0,1|0,0,2]=4 64 B11R1.86 CC(C)C[C@H]1CCCC[C@H]1N PH018572 [0,0,1,0,0,1|1,0,1]=4 65 B11R1.86 CC(C)OC1CCCCC1O S672734 [0,0,1,0,0,1|1,0,1]=4 66 B11R1.86 CN(C)CC1CCCCC1=O S703451 [0,0,1,0,0,1|2,0,0]=4 67 B11R1.86 CN(C)CC1CCCCC1=O S935484 [0,0,1,0,0,1|2,0,0]=4