0 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O CSC011787707 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.39 CC(=O)N1CCCC1CN CSC000706156 [1,0,0,0,0,0|1,0,1]=3 2 B10R1.39 CC(=O)N1CCCC1CO CSC011474066 [1,0,0,0,0,0|0,0,1]=2 3 B10R1.39 CC(=O)N1CCC[C@H]1CO CSC012003343 [1,0,0,0,0,0|0,0,1]=2 4 B10R1.39 CCC1CCCN1C(=O)N CSC011386413 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.39 CCN1CCC[C@H]1C(=O)N CSC015708101 [1,0,0,0,0,0|1,0,1]=3 6 B12R1.263 CC(=O)N1CCCC1C(C)(C)O CSC010371675 [0,1,0,0,0,0|1,0,1]=3 7 B12R1.263 CS(=O)(=O)N1CCCC1C(=O)O CSC000165837 [0,1,0,0,0,0|1,0,0]=2 8 B12R1.263 CS(=O)(=O)N1CCC[C@@H]1C(=O)O CSC011790549 [0,1,0,0,0,0|1,0,0]=2 9 B12R1.263 CS(=O)(=O)N1CCC[C@H]1C(=O)O CSC000744302 [0,1,0,0,0,0|1,0,0]=2 10 B12R1.368 CCC(=O)N1CCCC1C(=O)O CSC000194913 [0,1,0,0,0,0|0,0,0]=1 11 B12R1.368 CCC(=O)N1CCC[C@@H]1C(=O)O CSC011790441 [0,1,0,0,0,0|0,0,0]=1 12 B12R1.368 CCC(=O)N1CCC[C@H]1C(=O)O CSC011417223 [0,1,0,0,0,0|0,0,0]=1 13 B12R1.368 COC(=O)[C@@H]1CCCN1C(=O)C CSC009815248 [0,1,0,0,0,0|0,0,0]=1 14 B10R0.97 CC(=O)NCCCCC(=O)O CSC011593336 [0,0,1,0,0,0|0,0,0]=1 15 B10R0.97 CC(=O)OCCCOC(=O)C CSC000018353 [0,0,1,0,0,0|3,0,0]=4 16 B12R1.258 CC(=O)N1CCCC(C1)C(=O)O CSC000194941 [0,0,0,0,0,1|0,0,0]=1 17 B12R1.258 CC(=O)N1CCC[C@@H](C1)C(=O)O CSC012003505 [0,0,0,0,0,1|0,0,0]=1 18 B12R1.261 NC(=O)[C@@H]1CCCC[C@H]1C(=O)N CSC015739783 [0,0,0,0,0,1|3,0,0]=4 19 B12R1.392 CC(O)CC1CCCN1C(=O)C CSC012594064 [0,0,0,0,0,1|1,0,1]=3 20 B9R0.15 CCCN(CCC)C(=O)C CSC000159103 [1,0,1,0,0,0|1,0,1]=4 21 B9R0.39 CC[C@@H](NC(=O)C)C(=O)O CSC011996525 [1,0,1,0,0,0|0,0,0]=2 22 B11R0.32 CC(C)C[C@@H](NC(=O)C)C(=O)O CSC011532964 [0,1,1,0,0,0|0,0,0]=2 23 B11R0.32 CC(C)C[C@H](NC(=O)C)C(=O)N CSC015267606 [0,1,1,0,0,0|1,0,0]=3 24 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)N CSC010760028 [0,1,1,0,0,0|1,0,0]=3 25 B11R0.160 CCCCC(NC(=O)C)C(=O)O CSC000194794 [0,1,1,0,0,0|0,0,0]=2 26 B11R1.58 CS(=O)(=O)N1CCCC1CO CSC011474147 [1,1,0,0,0,0|1,0,1]=4 27 B11R1.58 CS(=O)(=O)N1CCC[C@@H]1CO CSC012139487 [1,1,0,0,0,0|1,0,1]=4 28 B11R1.58 CS(=O)(=O)N1CCC[C@H]1CO CSC012003353 [1,1,0,0,0,0|1,0,1]=4 29 B11R1.59 CCC(=O)N1CCCC1CN CSC011917856 [1,1,0,0,0,0|1,0,1]=4 30 B11R1.59 CCC(=O)N1CCCC1CO CSC011474038 [1,1,0,0,0,0|0,0,1]=3 31 B11R1.59 CCC(=O)N1CCC[C@@H]1CO CSC012446565 [1,1,0,0,0,0|0,0,1]=3 32 B11R1.59 CCC(=O)N1CCC[C@H]1CO CSC012003344 [1,1,0,0,0,0|0,0,1]=3 33 B11R1.59 CNC(=O)N1CCCC1CO CSC012074075 [1,1,0,0,0,0|0,0,1]=3 34 B11R1.59 CNC(=O)N1CCC[C@@H]1CO CSC012074071 [1,1,0,0,0,0|0,0,1]=3 35 B11R1.59 CNC(=O)N1CCC[C@H]1CO CSC012074066 [1,1,0,0,0,0|0,0,1]=3 36 B11R1.64 CC1CCN(C1CO)C(=O)C CSC013883947 [1,1,0,0,0,0|0,0,1]=3 37 B11R1.193 CNCC1CCCN1C(=O)C CSC012662834 [1,1,0,0,0,0|1,0,1]=4 38 B13R1.345 CS(=O)(=O)N1CCOC(C1)C(=O)O CSC011543090 [0,1,0,0,0,1|2,0,0]=4 39 B13R1.543 CCC(=O)N1CCCC(C1)C(=O)O CSC000194945 [0,1,0,0,0,1|0,0,0]=2 40 B13R1.543 COC(=O)C1CCCN(C1)C(=O)C CSC000240869 [0,1,0,0,0,1|0,0,0]=2 41 B13R1.543 NC(=O)C1CCCN(C1)C(=O)C=C CSC011325265 [0,1,0,0,0,1|1,0,1]=4 42 B13R1.165 CC1CCN(C(C1)C(=O)N)C(=O)C CSC016050787 [0,1,0,0,0,1|1,0,0]=3 43 B13R1.349 CS(=O)(=O)N1CCOCC1C(=O)O CSC012296602 [0,1,0,0,0,1|1,0,0]=3 44 B13R1.349 CS(=O)(=O)N1CCSCC1C(=O)N CSC015266352 [0,1,0,0,0,1|2,0,0]=4 45 B13R1.547 CCC(=O)N1CCCCC1C(=O)N CSC011197244 [0,1,0,0,0,1|1,0,0]=3 46 B13R1.547 CCC(=O)N1CCCCC1C(=O)O CSC000195072 [0,1,0,0,0,1|0,0,0]=2 47 B13R1.547 CCC(=O)N1CCSCC1C(=O)N CSC015236443 [0,1,0,0,0,1|1,0,0]=3 48 B13R1.547 CNC(=O)C1CCCCN1C(=O)C CSC011253453 [0,1,0,0,0,1|1,0,0]=3 49 B13R1.547 COC(=O)C1CCCCN1C(=O)C CSC011203133 [0,1,0,0,0,1|0,0,0]=2 50 B13R1.547 COC(=O)C1COCCN1C(=O)C CSC012568678 [0,1,0,0,0,1|0,0,0]=2 51 B13R1.350 CC(C)C(=O)N1CCCC1C(=O)O CSC000194908 [0,1,0,0,0,1|1,0,1]=4 52 B13R1.350 CN(C)C(=O)N1CCC[C@@H]1C(=O)O CSC011790661 [0,1,0,0,0,1|2,0,0]=4 53 B13R1.350 CN(C)C(=O)N1CCC[C@H]1C(=O)O CSC011428442 [0,1,0,0,0,1|2,0,0]=4 54 B13R1.551 COC(=O)C1CCCN1CC(=O)C CSC045396054 [0,1,0,0,0,1|0,0,0]=2 55 B13R1.273 CCS(=O)(=O)N1CCC[C@@H]1C(=O)O CSC011790553 [0,2,0,0,0,0|1,0,0]=3 56 B13R1.552 CNC(=O)C1CCCN1S(=O)(=O)C CSC011197102 [0,2,0,0,0,0|2,0,0]=4 57 B13R1.467 CCCC(=O)N1CCCC1C(=O)O CSC000743415 [0,2,0,0,0,0|0,0,0]=2 58 B13R1.467 CCCC(=O)N1CCC[C@H]1C(=O)O CSC011417245 [0,2,0,0,0,0|0,0,0]=2 59 B13R1.553 CNC(=O)C1CCCN1C(=O)CCl CSC000742243 [0,2,0,0,0,0|1,0,0]=3 60 B13R1.553 CNC(=O)C1CCCN1C(=O)NC CSC013039424 [0,2,0,0,0,0|1,0,0]=3 61 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1O CSC013036222 [0,0,1,1,0,0|1,0,1]=4 62 B11R1.86 CC(=O)N[C@H]1CCCC[C@@H]1O CSC013036315 [0,0,1,1,0,0|1,0,1]=4 63 B11R1.730 CC(=O)N1CCCC(C1)(C)O CSC013129880 [0,0,1,1,0,0|1,0,1]=4 64 B11R1.159 CC1N(CCNC1=O)C(=O)C CSC011855486 [0,0,1,1,0,0|1,0,0]=3 65 B9R0.55 CC(=O)CCCOC(=O)C CSC000031019 [0,0,1,0,1,0|2,0,0]=4 66 B9R0.55 CC(=O)NCCOC(=O)C CSC000007063 [0,0,1,0,1,0|2,0,0]=4 67 B11R0.30 CC(=O)OCCCCOC(=O)C CSC000036494 [0,0,1,0,0,1|2,0,0]=4 68 B11R1.53 CC(=O)N1CCCCC1CN CSC011552701 [1,0,0,0,0,1|1,0,1]=4 69 B11R1.53 CC(=O)N1CCSCC1C#N CSC015989303 [1,0,0,0,0,1|1,0,1]=4 70 B11R1.53 CCN1CCOCC1C(=O)N CSC009986905 [1,0,0,0,0,1|1,0,1]=4 71 B11R1.53 NC(=O)N1CCCCC1C=C CSC016125992 [1,0,0,0,0,1|2,0,0]=4 72 B11R1.266 CNC1CCCN(C1)C(=O)C CSC011696133 [1,0,0,0,0,1|2,0,0]=4 73 B11R1.266 COC1CCCN(C1)C(=O)C CSC011809107 [1,0,0,0,0,1|2,0,0]=4 74 B13R1.587 CC(=O)N1CCCC(C1)CC(=O)O CSC011724396 [0,0,0,0,0,2|0,0,0]=2 75 B13R1.589 CC(=O)CC1COCCN1C(=O)C CSC015336297 [0,0,0,0,0,2|1,0,0]=3 76 B13R1.589 CC(=O)N1CCCCC1CC(=O)O CSC000748614 [0,0,0,0,0,2|0,0,0]=2 77 B13R1.589 CC(=O)N1CCSCC1CC(=O)O CSC012481042 [0,0,0,0,0,2|0,0,0]=2 78 B13R1.589 CC(=O)NC1CCCCC1C(=O)N CSC015353950 [0,0,0,0,0,2|2,0,0]=4 79 B13R1.1082 CC(=O)N1CCCCCC1C(=O)O CSC012001615 [0,0,0,0,0,2|0,0,0]=2