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|1,0,1]=2 3 B10R1.13 CC(C)C1=CCC(=O)CC1 T203416 [1,0,0,0,0,0|1,0,2]=4 4 B10R1.13 CC(C)N1CCC(CC1)N CDS007349 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.13 CC(C)N1CCC(CC1)N L480754 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.13 CC1CCC(CC1)C(C)O PH000605 [1,0,0,0,0,0|1,0,1]=3 7 B10R1.13 CN(C)C1CCC(CC1)N CDS010169 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.61 CC(C)N1CCCNC1=O PH009682 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.61 CC(O)C1CCCCC1O S362417 [1,0,0,0,0,0|1,0,2]=4 10 B10R1.61 CC1=CCCCC1C(C)O T180114 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.61 O=C(O)C1CCCCC1=O CDS021562 [1,0,0,0,0,0|2,0,1]=4 12 B12R1.57 CC1CCC(/C(=N/O)/C1)C(C)C T176176 [0,1,0,0,0,0|0,0,1]=2 13 B12R1.57 COC1CC(CCC1C(C)C)C S945978 [0,1,0,0,0,0|0,0,2]=3 14 B12R1.126 CC1CCC(C(C1)O)C(C)(C)C S359254 [0,1,0,0,0,0|0,0,2]=3 15 B12R1.126 C[C@H]1CC[C@@H]([C@@H](C1)O)C(C)(C)O CDS000143 [0,1,0,0,0,0|0,0,2]=3 16 B12R1.1280 CC1CCC(C(C1)(C)O)C(C)C S311359 [0,1,0,0,0,0|0,0,2]=3 17 B10R0.3 CC(C)CCCC(C)CC=O CDS014268 [0,0,1,0,0,0|0,0,0]=1 18 B10R0.17 CCCCC(C(=O)C)C(C)C S351725 [0,0,1,0,0,0|0,0,0]=1 19 B10R0.17 CCCCC(C(=O)O)C(C)C PH010077 [0,0,1,0,0,0|1,0,0]=2 20 B10R0.101 CCCC(=O)C(CC)[N+](=O)[O-] T152498 [0,0,1,0,0,0|3,0,0]=4 21 B12R2.766 C[C@H]1CC(=O)C2CC1C2(C)C T258598 [0,0,0,1,0,0|0,0,0]=1 22 B12R2.2427 O=C(O)C12CCC(C1)CC2=O T295140 [0,0,0,1,0,0|2,0,1]=4 23 B12R2.2764 CC12CCC(C(=O)C1)C(=O)C2 T235474 [0,0,0,1,0,0|1,0,1]=3 24 B10R1.59 CC(C)N1CC(CC1=O)N CBR02340 [0,0,0,0,1,0|2,0,0]=3 25 B12R1.1218 CC1CCC(NC(=O)C1)C(C)C T176168 [0,0,0,0,0,1|0,0,0]=1 26 B9R0.1 CCC(C)CCCC(C)C S765406 [1,0,1,0,0,0|0,0,1]=3 27 B9R0.5 C=CCC(O)CCCCC S417475 [1,0,1,0,0,0|2,0,0]=4 28 B9R0.5 CCCCCC(C)CCC S431648 [1,0,1,0,0,0|1,0,1]=4 29 B9R0.5 CCCCCC(C)CCN PH007332 [1,0,1,0,0,0|1,0,1]=4 30 B9R0.6 CCOC(=O)C(Br)C(C)C CDS001494 [1,0,1,0,0,0|2,0,0]=4 31 B9R0.7 CC(C)CCC(=O)C(C)C S450499 [1,0,1,0,0,0|0,0,1]=3 32 B9R0.53 CC(C)CS(=O)CC(C)C S767905 [1,0,1,0,0,0|1,0,0]=3 33 B9R0.13 C(=C(\CC)/C(=O)C)\CCC S129674 [1,0,1,0,0,0|0,0,2]=4 34 B9R0.13 CCN(CCCN)C(=O)C PH010126 [1,0,1,0,0,0|2,0,0]=4 35 B9R0.4 CCCCC(=O)CC(=O)C CDS001230 [1,0,1,0,0,0|1,0,1]=4 36 B9R0.4 CCCCC(=O)CC(=O)C S839590 [1,0,1,0,0,0|1,0,1]=4 37 B9R0.37 CCCC(=O)C(CC)CC S504769 [1,0,1,0,0,0|0,0,0]=2 38 B9R0.37 CCN(CC)C(=O)CCN CDS005055 [1,0,1,0,0,0|2,0,0]=4 39 B9R0.37 CCOC(=O)C(CC)CN PH016204 [1,0,1,0,0,0|2,0,0]=4 40 B9R1.1 CCC1CCC(CC1)N CDS002619 [2,0,0,0,0,0|1,0,1]=4 41 B9R1.1 CCC1CCC(CC1)O S504939 [2,0,0,0,0,0|1,0,1]=4 42 B9R1.1 CCN1CCC(CC1)C S647713 [2,0,0,0,0,0|1,0,1]=4 43 B9R1.1 CC[C@H]1CC[C@@H](CC1)O CDS000137 [2,0,0,0,0,0|1,0,1]=4 44 B9R1.1 N1CC(CCC1C)CC S361844 [2,0,0,0,0,0|1,0,1]=4 45 B9R1.6 CC(C)C1CCCCN1 PH003734 [2,0,0,0,0,0|1,0,0]=3 46 B9R1.6 CC(C)C1CCNCC1 CDS000108 [2,0,0,0,0,0|1,0,1]=4 47 B9R1.6 CC(C)C1OCCCO1 S864714 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.6 CC(N)C1=CCCCC1 CBR01205 [2,0,0,0,0,0|1,0,1]=4 49 B9R1.6 CC(O)C1=CCCCC1 PH015453 [2,0,0,0,0,0|1,0,1]=4 50 B9R1.6 CC(O)C1C=CCCC1 T181412 [2,0,0,0,0,0|1,0,1]=4 51 B11R0.6 CC(=CCCC(C)CC(=O)N)C S798355 [0,1,1,0,0,0|0,0,2]=4 52 B11R0.308 CC(C)C(N)C(=O)OC(C)(C)C S756733 [0,1,1,0,0,0|2,0,0]=4 53 B11R0.308 CC(C)[C@H](N)C(=O)NC(C)(C)C PH015369 [0,1,1,0,0,0|2,0,0]=4 54 B11R0.205 CCCCC(C(=O)O)C(C)(C)C PH007544 [0,1,1,0,0,0|1,0,0]=3 55 B11R1.3 CC(C)C1CCC(CC1)NN PH019449 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.3 CC(C)N1CCC(CC1)CO CBR01466 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.19 CC(C)(C)C1CCC(CC1)O S953636 [1,1,0,0,0,0|1,0,1]=4 58 B11R1.21 CC1CC[C@H](CC1=O)C(C)C T218626 [1,1,0,0,0,0|0,0,2]=4 59 B11R1.727 C[C@@H](O)C1CCC(CC1)(C)C CDS024512 [1,1,0,0,0,0|1,0,1]=4 60 B11R1.87 CC(C)(C)C1CCCCC1=O S576697 [1,1,0,0,0,0|0,0,0]=2 61 B11R1.87 O=C1CCCCC1C(F)(F)F MNO000035 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.159 CC(C)C1NCCN(C1=O)C CBR00847 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.222 COC(C)C1CCCC=C1C T183830 [1,1,0,0,0,0|1,0,1]=4 64 B11R1.50 CC(C)N1CC(CC1=O)CO CBR01636 [0,1,0,0,1,0|1,0,0]=3 65 B11R1.64 CC1=C([C@H](CC1)C(C)C)CO T224928 [0,1,0,0,1,0|0,0,2]=4 66 B11R1.424 CC1=CCCC(C1C=O)(C)C CDS005151 [0,0,1,1,0,0|0,0,2]=4 67 B11R1.565 CC1CCNC(CC1)C(C)C T176184 [0,0,1,1,0,0|1,0,1]=4 68 B11R1.1361 CC1CC(CC(=O)C1=O)(C)C S17354 [0,0,1,1,0,0|1,0,1]=4 69 B11R1.143 CN1CCCCCC1C(=O)O CBR00944 [0,0,1,1,0,0|2,0,0]=4 70 B11R1.10 CCC1=CC(=O)CC(C1)(C)C T287865 [0,0,1,1,0,0|0,0,2]=4 71 B11R2.48 O=C1N[C@H]2CC[C@@H]1CNC2 CBR01818 [1,0,0,1,0,0|2,0,0]=4 72 B11R2.732 CC1(C2CCC1C(=O)C2)C S461490 [1,0,0,1,0,0|0,0,0]=2 73 B11R2.356 O=C1CC(CN1C2CC2)O CDS024442 [0,0,0,1,1,0|2,0,0]=4 74 B11R2.739 C1(CC2CC1C(C2)(C)C)O T258679 [0,0,0,1,1,0|0,0,2]=4 75 B11R2.739 CC1(CC2CC(=O)C1C2)C T245739 [0,0,0,1,1,0|0,0,0]=2 76 B13R2.12104 C1(CC(C2CC1C2(C)C)(C)C)O T282103 [0,1,0,1,0,0|0,0,2]=4 77 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 78 B13R2.1086 COC(=O)C12CCC(C1)CC2=O T228982 [0,1,0,1,0,0|1,0,1]=4 79 B13R3.2060 C=C1C2CCC3(C1C3C2=O)C T297844 [0,0,0,2,0,0|0,0,2]=4 80 B9R1.22 CCN1CC(CC1=O)N CBR00819 [1,0,0,0,1,0|2,0,0]=4 81 B9R1.41 CC(C)C1CCCC1=O CDS023294 [1,0,0,0,1,0|0,0,0]=2 82 B9R1.41 CC(C)N1CCNC1=O CBR01602 [1,0,0,0,1,0|2,0,0]=4 83 B11R0.160 CCCCC(CC(C)C)C(=O)O PH010197 [0,0,1,0,0,1|1,0,0]=3 84 B11R0.160 CCCNC(CC(C)C)C(=O)O PH010416 [0,0,1,0,0,1|2,0,0]=4 85 B11R1.86 CC(C)C[C@H]1CCCC[C@H]1N PH018572 [1,0,0,0,0,1|1,0,1]=4 86 B11R1.86 CC(C)OC1CCCCC1O S672734 [1,0,0,0,0,1|0,0,2]=4 87 B11R1.86 CN(C)CC1CCCCC1=O S703451 [1,0,0,0,0,1|1,0,0]=3 88 B11R1.86 CN(C)CC1CCCCC1=O S935484 [1,0,0,0,0,1|1,0,0]=3