0 B11R1.166 CC(C)C1=CC[C@H](CC1=O)C T203688 [0,0,0,0,0,0|0,0,4]=4 1 B11R1.166 CC(C)[C@@H]1CC[C@H](C[C@H]1N)C PH015551 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.166 CC1OC(CCC1N(C)C)O T263117 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.13 CC(C)N1CCC(=O)CC1 S563617 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.13 CC(C)N1CCC(CC1)N CDS007349 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.13 CC(C)N1CCC(CC1)N L480754 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.13 CC(C)[C@@H]1CCC(=O)OC1 T295736 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.13 CC1CCC(CC1)C(C)O PH000605 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.13 CN(C)C1CCC(CC1)N CDS010169 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.61 CC(=O)[C@@H]1CCCC[C@@H]1N PH016419 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.61 CC(C)N1CCNCC1C CBR01099 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.61 CC(O)C1CCCCC1O S362417 [1,0,0,0,0,0|1,0,0]=2 12 B10R1.61 O=C(O)[C@H]1CCCC[C@H]1O R548480 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.57 CC1CCC(/C(=N/O)/C1)C(C)C T176176 [0,1,0,0,0,0|0,0,1]=2 14 B12R1.57 COC1CC(CCC1C(C)C)C S945978 [0,1,0,0,0,0|0,0,0]=1 15 B12R1.126 CC(C)(C)[C@H]1CCC(=O)C[C@H]1O T263591 [0,1,0,0,0,0|1,0,1]=3 16 B12R1.126 CC1CCC(C(C1)O)C(C)(C)C S359254 [0,1,0,0,0,0|0,0,0]=1 17 B12R1.126 C[C@H]1CC[C@@H]([C@@H](C1)O)C(C)(C)O CDS000143 [0,1,0,0,0,0|0,0,0]=1 18 B12R1.1280 CC1CCC(C(C1)(C)O)C(C)C S311359 [0,1,0,0,0,0|0,0,0]=1 19 B10R0.3 CC(C)CCCC(C)CC=O CDS014268 [0,0,1,0,0,0|0,0,2]=3 20 B10R0.17 CC(C)N(CCCN)C(C)C PH000554 [0,0,1,0,0,0|3,0,0]=4 21 B10R0.17 CC(C)N(CCCO)C(C)C PH010245 [0,0,1,0,0,0|3,0,0]=4 22 B10R0.17 CCCCC(C(=O)C)C(C)C S351725 [0,0,1,0,0,0|0,0,2]=3 23 B10R0.17 CCCCC(C(=O)O)C(C)C PH010077 [0,0,1,0,0,0|1,0,1]=3 24 B10R0.84 CC(=C(CO)CCC(C)C)C S351598 [0,0,1,0,0,0|0,0,2]=3 25 B10R0.84 CC(C)[C@@H](CO)/N=C/N(C)C T294446 [0,0,1,0,0,0|2,0,1]=4 26 B12R2.766 C[C@H]1CC(=O)C2CC1C2(C)C T258598 [0,0,0,1,0,0|0,0,2]=3 27 B12R1.1218 CC1CCC(NC(=O)C1)C(C)C T176168 [0,0,0,0,0,1|0,0,2]=3 28 B9R0.1 CCC(C)CCCC(C)C S765406 [1,0,1,0,0,0|0,0,0]=2 29 B9R0.2 CCCCCCCC(C)Br S438758 [1,0,1,0,0,0|2,0,0]=4 30 B9R0.5 CCCCCC(C)CCC S431648 [1,0,1,0,0,0|1,0,0]=3 31 B9R0.5 CCCCCC(C)CCN PH007332 [1,0,1,0,0,0|1,0,0]=3 32 B9R0.6 CCCC(O)C(C)C(C)O S405051 [1,0,1,0,0,0|1,0,0]=3 33 B9R0.7 CC(C)CCC(=O)C(C)C S450499 [1,0,1,0,0,0|0,0,2]=4 34 B9R0.53 CC(C)CS(=O)CC(C)C S767905 [1,0,1,0,0,0|1,0,1]=4 35 B9R0.43 CCC(CC)CCC(C)O S414557 [1,0,1,0,0,0|2,0,0]=4 36 B9R0.37 CCC(CC)C(N)CCO BBO000387 [1,0,1,0,0,0|2,0,0]=4 37 B9R0.37 CCCC(=O)C(CC)CC S504769 [1,0,1,0,0,0|0,0,2]=4 38 B9R1.1 CCC1CCC(CC1)N CDS002619 [2,0,0,0,0,0|1,0,0]=3 39 B9R1.1 CCC1CCC(CC1)O S504939 [2,0,0,0,0,0|1,0,0]=3 40 B9R1.1 CCN1CCC(CC1)C S647713 [2,0,0,0,0,0|1,0,0]=3 41 B9R1.1 CCN1CCC(CC1)O CDS021469 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.1 CC[C@H]1CC[C@@H](CC1)O CDS000137 [2,0,0,0,0,0|1,0,0]=3 43 B9R1.1 CN1CCC(CC1)CCl CBR01527 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.1 CN1CCC(CC1)CN ANV00108 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.1 CN1CCC(CC1)CN CDS006144 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.1 COC1CCC(CC1)N CDS024278 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.1 N1CC(CCC1C)CC S361844 [2,0,0,0,0,0|1,0,0]=3 48 B9R1.1 OC[C@H]1CC[C@@H](CC1)O T184683 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.1 OC[C@H]1CC[C@H](CC1)O T184624 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.6 CC(=O)C1CCCCC1 PH000084 [2,0,0,0,0,0|1,0,1]=4 51 B9R1.6 CC(C)C1CCCCN1 PH003734 [2,0,0,0,0,0|1,0,0]=3 52 B9R1.6 CC(C)C1CCNCC1 CDS000108 [2,0,0,0,0,0|1,0,0]=3 53 B9R1.6 CC(C)C1OCCCO1 S864714 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.6 CN(C)C1CCNCC1 CDS003977 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.6 N1CCC(CC1)N(C)C S346675 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.15 CN[C@@H]1CCCC[C@H]1O BBO000382 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.15 N#C[C@@H]1CCCC[C@H]1O PH017201 [2,0,0,0,0,0|1,0,1]=4 58 B9R1.15 NC[C@@H]1CCCC[C@@H]1N BBO000355 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.15 NC[C@@H]1CCCC[C@H]1N BBO000357 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.15 NC[C@H]1CCCC[C@H]1O BBO000725 [2,0,0,0,0,0|1,0,0]=3 61 B9R1.15 NC[C@H]1CCCC[C@H]1O CDS006535 [2,0,0,0,0,0|1,0,0]=3 62 B9R1.15 OC[C@H]1CCNC[C@H]1O CBR01689 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.69 CC1CCC(C(C1)C)O S436828 [2,0,0,0,0,0|2,0,0]=4 64 B11R0.6 CC(=CCCC(C)CC(C)O)C S311332 [0,1,1,0,0,0|0,0,2]=4 65 B11R0.6 CC(C)CCCC(C)NC(C)C S654957 [0,1,1,0,0,0|2,0,0]=4 66 B11R0.174 C/C(=C/CC[C@H](C)CCO)/CO T239585 [0,1,1,0,0,0|0,0,2]=4 67 B11R0.153 CC(C)N(CCCCO)C(C)C PH010580 [0,1,1,0,0,0|2,0,0]=4 68 B11R0.205 CCCCC(C(=O)O)C(C)(C)C PH007544 [0,1,1,0,0,0|1,0,1]=4 69 B11R1.3 C(=O)C1CCN(CC1)C(C)C CBR01031 [1,1,0,0,0,0|1,0,1]=4 70 B11R1.3 CC(C)C1CCC(CC1)NN PH019449 [1,1,0,0,0,0|1,0,0]=3 71 B11R1.3 CC(C)N1CCC(CC1)CO CBR01466 [1,1,0,0,0,0|1,0,0]=3 72 B11R1.3 CCN1CCC(CC1)C(C)N PH010176 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.19 CC(C)(C)C1CCC(CC1)O S953636 [1,1,0,0,0,0|1,0,0]=3 74 B11R1.21 CC1CC[C@H](CC1=O)C(C)C T218626 [1,1,0,0,0,0|0,0,1]=3 75 B11R1.22 CCC(C)N1CCC(CC1)N PH019192 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.22 COC(=O)C1CCC(CC1)C PH001309 [1,1,0,0,0,0|1,0,1]=4 77 B11R1.22 [C@@H]1(CC=C(CC1)C)[C@@H](C)CO PH011482 [1,1,0,0,0,0|0,0,2]=4 78 B11R1.727 C[C@@H](O)C1CCC(CC1)(C)C CDS024512 [1,1,0,0,0,0|1,0,0]=3 79 B11R1.37 CC1CCC(C(C1)CO)CO S454818 [1,1,0,0,0,0|1,0,0]=3 80 B11R1.87 CC(C)(C)C1CCCCC1=O S576697 [1,1,0,0,0,0|0,0,2]=4 81 B11R1.87 C[Si](C)(C)C1CCCCC1O T212539 [1,1,0,0,0,0|0,1,0]=3 82 B11R1.222 COC(=O)C1CCCCC1O S764612 [1,1,0,0,0,0|1,0,1]=4 83 B11R1.488 CC(=C1CC(CC1O)(C)C)C T274291 [0,1,0,0,1,0|0,0,2]=4 84 B11R1.64 CC1=C([C@H](CC1)C(C)C)CO T224928 [0,1,0,0,1,0|0,0,2]=4 85 B11R1.316 CC1C(CCC1C(C)(C)C)O S793078 [0,1,0,0,1,0|2,0,0]=4 86 B11R1.565 CC1CCNC(CC1)C(C)C T176184 [0,0,1,1,0,0|1,0,0]=3 87 B11R1.325 CC1CC(N(C(C1)(C)C)C)C PH012628 [0,0,1,1,0,0|2,0,0]=4 88 B11R1.1064 CC(C)[C@]1(CCC[C@H]1O)CO T232831 [0,0,1,1,0,0|1,0,0]=3 89 B11R2.34 OC1CCN(CC1)C2CC2 CDS024119 [1,0,0,1,0,0|2,0,0]=4 90 B11R2.39 CC1CCC2C(C1)C2(Br)Br T195995 [1,0,0,1,0,0|2,0,0]=4 91 B11R2.533 [C@H]12C[C@H](C1(C)C)CCC2=O R229253 [1,0,0,1,0,0|1,0,1]=4 92 B11R2.36 OC1CCC2CCCC2C1 S350508 [1,0,0,1,0,0|2,0,0]=4 93 B11R2.36 [C@@H]12CCC[C@@H]1CN(CC2)C T167525 [1,0,0,1,0,0|2,0,0]=4 94 B11R2.732 CC1(C2CCC1C(=O)C2)C S461490 [1,0,0,1,0,0|0,0,2]=4 95 B11R2.845 CC(N)C1CC2CCC1C2 S179515 [1,0,0,1,0,0|2,0,0]=4 96 B11R2.411 CC(C)[C@@]12CC1C[C@@H](C2)O T276049 [0,0,0,1,1,0|2,0,0]=4 97 B11R2.739 C1(CC2CC1C(C2)(C)C)O T258679 [0,0,0,1,1,0|0,0,0]=2 98 B11R2.739 CC1(CC2CC(=O)C1C2)C T245739 [0,0,0,1,1,0|0,0,2]=4 99 B13R2.12104 C1(CC(C2CC1C2(C)C)(C)C)O T282103 [0,1,0,1,0,0|0,0,0]=2 100 B13R2.16542 [C@@H]12CC[C@@](C1(C)C)(C(=O)C2Br)C S373192 [0,1,0,1,0,0|1,0,1]=4 101 B13R3.2828 OC1CC2CC1C3CCC2C3 T204218 [0,0,0,2,0,0|2,0,0]=4 102 B9R1.41 CC(C)C1CCCC1=O CDS023294 [1,0,0,0,1,0|0,0,2]=4 103 B9R1.41 CN(C)[C@H]1CNC[C@@H]1O CBR02392 [1,0,0,0,1,0|2,0,0]=4 104 B11R0.160 CCCCC(CC(C)C)C(=O)O PH010197 [0,0,1,0,0,1|1,0,1]=4 105 B11R1.86 CC(C)C[C@H]1CCCC[C@H]1N PH018572 [1,0,0,0,0,1|1,0,0]=3 106 B11R1.86 CC(C)OC1CCCCC1O S672734 [1,0,0,0,0,1|0,0,0]=2