0 B9R1.35 NC(=O)[C@@H]1C[C@@H](O)CN1 BB31-5360 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.35 NC1CCC(C(=O)O)C1 BB31-5764 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 BB31-5110 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 BB31-7079 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 BB32-0526 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.35 O=C(O)C1CCC(O)C1 BB31-0171 [0,0,0,0,0,0|1,0,0]=1 6 B8R1.1 N#C[C@@H]1C[C@H](F)CN1 BB31-5362 [1,0,0,0,0,0|2,0,1]=4 7 B8R1.1 OC[C@H]1C[C@H](O)CN1 BB31-0253 [1,0,0,0,0,0|0,0,1]=2 8 B8R1.7 CC(=O)[C@@H]1CCCO1 BB31-1725 [1,0,0,0,0,0|2,0,0]=3 9 B8R1.7 N=C(N)C1CCCO1 BB32-3453 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.7 NC(=O)[C@@H]1CCNC1 BB31-1778 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.7 NC(=O)[C@H]1CCNC1 BB31-1805 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.7 O=C(O)C1CCCS1 BB32-0695 [1,0,0,0,0,0|1,0,0]=2 13 B8R1.7 O=C(O)[C@@H]1C=CCN1 BB31-3955 [1,0,0,0,0,0|0,0,2]=3 14 B8R1.7 O=C(O)[C@@H]1C=CCN1 BB31-5745 [1,0,0,0,0,0|0,0,2]=3 15 B8R1.7 O=C(O)[C@H]1CCNC1 BB31-5430 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.14 COC(=O)[C@@H]1C=C[C@H](N)C1 BB31-4192 [0,1,0,0,0,0|2,0,1]=4 17 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 BB31-1920 [0,1,0,0,0,0|1,0,2]=4 18 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 BB31-5268 [0,1,0,0,0,0|2,0,0]=3 19 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 BB31-3489 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 BB31-3426 [0,1,0,0,0,0|1,0,0]=2 21 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 BB31-1508 [0,1,0,0,0,0|1,0,0]=2 22 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 BB32-2988 [0,1,0,0,0,0|1,0,0]=2 23 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 BB31-1919 [0,1,0,0,0,0|1,0,2]=4 24 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 BB32-0731 [0,1,0,0,0,0|2,0,0]=3 25 B10R1.14 COC(=O)[C@H]1C[C@@H](F)CN1 BB31-2804 [0,1,0,0,0,0|1,0,0]=2 26 B10R1.359 O=C(O)C1CCC(F)(F)C1 BB31-1506 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 BB31-3072 [0,1,0,0,0,0|1,0,0]=2 28 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 BB32-2414 [0,1,0,0,0,0|1,0,0]=2 29 B10R1.359 O=C(O)[C@H]1CC(F)(F)CN1 BB31-2511 [0,1,0,0,0,0|1,0,0]=2 30 B8R0.9 CCC(C)CCC(C)=O BB31-3584 [0,0,1,0,0,0|3,0,0]=4 31 B8R0.15 CCCC(CC)C(=O)O BB31-3760 [0,0,1,0,0,0|2,0,0]=3 32 B8R0.23 C=C(CC(C)C)C(=O)O BB31-4322 [0,0,1,0,0,0|2,0,1]=4 33 B8R1.23 CC(=O)N1CC(N)C1 BB31-2583 [0,0,0,0,1,0|3,0,0]=4 34 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 BB31-7196 [0,0,0,0,1,0|1,0,0]=2 35 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 BB31-8607 [0,0,0,0,1,0|1,0,0]=2 36 B8R1.23 O=C(O)C1CC(Cl)C1 BB31-7948 [0,0,0,0,1,0|1,0,0]=2 37 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 BB31-0994 [0,0,0,0,1,0|1,0,0]=2 38 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 BB31-0993 [0,0,0,0,1,0|1,0,0]=2 39 B8R1.31 CC1CCC1C(=O)O BB31-4909 [0,0,0,0,1,0|2,0,0]=3 40 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O BB31-3568 [0,0,0,0,1,0|2,0,0]=3 41 B10R1.13 CC1=CCC(C(=O)O)CC1 BB32-2492 [0,0,0,0,0,1|2,0,1]=4 42 B10R1.13 O=C(O)C1CCC(F)CC1 BB31-7519 [0,0,0,0,0,1|2,0,0]=3 43 B10R1.13 O=C(O)C1CCC(O)CN1 BB31-1677 [0,0,0,0,0,1|0,0,0]=1 44 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 BB32-0576 [0,0,0,0,0,1|0,0,0]=1 45 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](O)C1 BB31-4648 [0,0,0,0,0,1|2,0,1]=4 46 B10R1.54 O=C(O)CC1CCC(=O)C1 BB31-7997 [0,0,0,0,0,1|1,0,2]=4 47 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 BB32-3911 [0,0,0,0,0,1|2,0,0]=3 48 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 BB31-7694 [0,0,0,0,0,1|1,0,0]=2 49 B7R0.4 N#CCCCC(=O)O BB31-7795 [1,0,1,0,0,0|0,0,2]=4 50 B7R0.4 NC(=O)CCCCO BB31-4574 [1,0,1,0,0,0|2,0,0]=4 51 B7R0.4 O=C([O-])COCCO BB31-2744 [1,0,1,0,0,0|1,0,1]=4 52 B7R0.5 CC(CCO)C(N)=O BB31-7816 [1,0,1,0,0,0|1,0,0]=3 53 B7R0.5 NCCC(F)C(=O)O BB31-4428 [1,0,1,0,0,0|2,0,0]=4 54 B7R0.6 CC(=O)NCC(C)O BB31-7690 [1,0,1,0,0,0|2,0,0]=4 55 B7R0.6 CC(N)CCC(=O)O BB31-2419 [1,0,1,0,0,0|1,0,0]=3 56 B7R0.6 CC(O)CCC(=O)[O-] BB31-5329 [1,0,1,0,0,0|0,0,1]=3 57 B7R0.15 CN[C@@H](CO)C(=O)O BB31-9937 [1,0,1,0,0,0|0,0,0]=2 58 B7R0.15 NC[C@H](CO)C(=O)O BB31-2226 [1,0,1,0,0,0|2,0,0]=4 59 B7R1.1 C#CC1CCCN1 BB31-1749 [2,0,0,0,0,0|1,0,1]=4 60 B7R1.1 CC[C@@H]1CCCN1 BB32-2574 [2,0,0,0,0,0|1,0,1]=4 61 B7R1.1 FC[C@@H]1CCCN1 BB31-6796 [2,0,0,0,0,0|1,0,1]=4 62 B7R1.1 N#C[C@@H]1CCCN1 BB31-4661 [2,0,0,0,0,0|1,0,1]=4 63 B7R1.1 N#C[C@H]1CCCN1 BB31-7033 [2,0,0,0,0,0|1,0,1]=4 64 B7R1.2 NC1CCC(O)C1 BB31-2061 [2,0,0,0,0,0|2,0,0]=4 65 B7R1.2 N[C@@H]1CC[C@@H](O)C1 BB31-1056 [2,0,0,0,0,0|2,0,0]=4 66 B7R1.2 N[C@H]1CC[C@H](O)C1 BB31-4650 [2,0,0,0,0,0|2,0,0]=4 67 B7R1.2 N[C@H]1CC[C@H](O)C1 BB31-5100 [2,0,0,0,0,0|2,0,0]=4 68 B7R1.2 N[C@H]1CNC(=O)C1 BB31-3703 [2,0,0,0,0,0|1,0,1]=4 69 B7R1.2 O=C1CC(O)CO1 BB31-5337 [2,0,0,0,0,0|1,0,1]=4 70 B7R1.2 O=C1CCC(O)C1 BB31-4994 [2,0,0,0,0,0|1,0,1]=4 71 B7R1.2 O[C@@H]1C=C[C@H](O)C1 BB31-6115 [2,0,0,0,0,0|1,0,1]=4 72 B9R0.13 CCCC[C@H](NC)C(=O)O BB31-3398 [0,1,1,0,0,0|2,0,0]=4 73 B9R0.33 CCCC(C(=O)O)C(C)C BB32-3199 [0,1,1,0,0,0|2,0,0]=4 74 B9R0.39 CN[C@@H](CC(N)=O)C(=O)O BB31-7264 [0,1,1,0,0,0|0,0,2]=4 75 B9R0.74 CCCC(C)(CC)C(=O)O BB31-4690 [0,1,1,0,0,0|2,0,0]=4 76 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O BB31-4655 [0,1,1,0,0,0|1,0,0]=3 77 B9R1.22 CN1C[C@H](O)C[C@H]1CO BB31-7924 [1,1,0,0,0,0|0,0,1]=3 78 B9R1.133 OC[C@H]1CC(F)(F)CN1 BB31-1897 [1,1,0,0,0,0|1,0,1]=4 79 B9R1.19 CC(C)(O)[C@@H]1CCCN1 BB31-5359 [1,1,0,0,0,0|1,0,1]=4 80 B9R1.41 CC1CCCC1C(=O)O BB32-2372 [1,1,0,0,0,0|1,0,0]=3 81 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O BB31-3041 [1,1,0,0,0,0|1,0,0]=3 82 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O BB32-3070 [1,1,0,0,0,0|1,0,0]=3 83 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O BB32-0417 [1,1,0,0,0,0|1,0,0]=3 84 B9R1.163 CC1(C(=O)O)CCNC1 BB31-6443 [1,1,0,0,0,0|2,0,0]=4 85 B9R1.163 C[C@@]1(C(=O)O)CCNC1 BB31-2661 [1,1,0,0,0,0|2,0,0]=4 86 B9R1.163 O=C(O)C1(F)CCCC1 BB31-2962 [1,1,0,0,0,0|1,0,0]=3 87 B9R1.163 O=C(O)C1(F)CCNC1 BB31-0905 [1,1,0,0,0,0|2,0,0]=4 88 B9R1.82 COC(=O)C1CC(Cl)C1 BB31-3084 [0,1,0,0,1,0|1,0,0]=3 89 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 BB32-3300 [0,1,0,0,1,0|0,0,0]=2 90 B9R1.95 O=C(O)C1CC(CBr)C1 BB31-8450 [0,1,0,0,1,0|1,0,0]=3 91 B9R1.152 CC1(C(=O)O)CC(=O)C1 BB31-4490 [0,1,0,0,1,0|0,0,2]=4 92 B9R1.164 CC(=O)C1CC(F)(F)C1 BB31-3148 [0,1,0,0,1,0|2,0,0]=4 93 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 BB31-2410 [0,1,0,0,1,0|0,0,0]=2 94 B9R1.164 O=C(O)C1CS(=O)(=O)C1 BB31-1722 [0,1,0,0,1,0|1,0,1]=4 95 B11R1.3 N#C[C@H]1CC[C@H](C(=O)O)CC1 BB31-8305 [0,1,0,0,0,1|2,0,0]=4 96 B11R1.22 COC(=O)[C@@H]1CC[C@@H](C)NC1 BB31-0151 [0,1,0,0,0,1|2,0,0]=4 97 B11R1.22 COC(=O)[C@@H]1CC[C@@H](C)NC1 BB31-0152 [0,1,0,0,0,1|2,0,0]=4 98 B11R1.22 COC(=O)[C@@H]1CC[C@H](C)NC1 BB31-0147 [0,1,0,0,0,1|2,0,0]=4 99 B11R1.23 COC(=O)C1CC(O)CCN1 BB32-1810 [0,1,0,0,0,1|0,0,0]=2 100 B11R1.23 COC(=O)[C@@H]1CCN[C@H](C)C1 BB32-0677 [0,1,0,0,0,1|2,0,0]=4 101 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](O)CN1 BB20-6622 [0,2,0,0,0,0|0,0,0]=2 102 B11R1.866 COC(=O)[C@@H]1CC(F)(F)CN1 BB31-2971 [0,2,0,0,0,0|1,0,0]=3 103 B11R1.866 COC(=O)[C@H]1CC(F)(F)CN1 BB31-2515 [0,2,0,0,0,0|1,0,0]=3 104 B11R1.175 O=C(O)[C@@H]1CN[C@H](C(=O)O)C1 BB32-3593 [0,2,0,0,0,0|0,0,0]=2 105 B9R1.6 O=C(O)[C@H]1CNCCO1 BB31-9515 [0,0,1,1,0,0|2,0,0]=4 106 B9R1.1 NCC1CCC(=O)NC1 BB32-1698 [0,0,1,1,0,0|2,0,0]=4 107 B9R1.179 NCCC1(C(=O)O)CC1 BB31-2753 [0,0,1,1,0,0|2,0,0]=4 108 B9R1.85 O=C(O)COCC1CC1 BB32-1443 [0,0,1,1,0,0|2,0,0]=4 109 B9R2.39 O=C1NC2CCC1C2 BB31-4286 [1,0,0,1,0,0|2,0,0]=4 110 B9R2.39 O[C@@H]1C[C@@H]2CC[C@H]1N2 BB31-3697 [1,0,0,1,0,0|1,0,1]=4 111 B9R2.70 OC[C@H]1NC[C@@H]2C[C@H]12 BB31-3570 [1,0,0,1,0,0|1,0,1]=4 112 B9R2.145 O=C(O)C12CC(C1)C2 BB32-1726 [0,0,0,1,1,0|1,0,0]=3 113 B11R2.1839 O=C(O)C12CCC(CC1)C2 BB32-0510 [0,0,0,1,0,1|2,0,0]=4 114 B7R0.16 CC(C)C(C)C(=O)O BB31-8342 [0,0,1,0,1,0|2,0,0]=4 115 B7R1.10 CNC1CC(O)C1 BB32-0317 [1,0,0,0,1,0|2,0,0]=4 116 B7R1.10 CN[C@H]1C[C@@H](O)C1 BB31-2520 [1,0,0,0,1,0|2,0,0]=4 117 B7R1.10 CN[C@H]1C[C@H](O)C1 BB31-2532 [1,0,0,0,1,0|2,0,0]=4 118 B7R1.10 N#C[C@H]1C[C@@H](O)C1 BB31-8519 [1,0,0,0,1,0|1,0,1]=4 119 B7R1.10 N#C[C@H]1C[C@H](O)C1 BB31-6405 [1,0,0,0,1,0|1,0,1]=4 120 B7R1.10 NCC1CC(O)C1 BB58-2198 [1,0,0,0,1,0|1,0,1]=4 121 B7R1.10 NC[C@H]1C[C@@H](O)C1 BB31-2482 [1,0,0,0,1,0|1,0,1]=4 122 B7R1.10 N[C@H]1C[C@@H](CO)C1 BB31-9750 [1,0,0,0,1,0|1,0,1]=4 123 B7R1.18 CC(=O)N1CCC1 BB32-2755 [1,0,0,0,1,0|2,0,0]=4 124 B7R1.18 N=C(N)C1CCC1 BB31-6957 [1,0,0,0,1,0|2,0,0]=4 125 B7R1.18 NC(=O)C1CNC1 BB31-1092 [1,0,0,0,1,0|2,0,0]=4 126 B7R1.18 NC(=S)C1CCC1 BB31-2990 [1,0,0,0,1,0|1,1,0]=4 127 B7R1.18 O=C(O)C1=CCC1 BB32-1171 [1,0,0,0,1,0|0,0,2]=4 128 B7R1.18 O=C(O)C1COC1 BB31-0382 [1,0,0,0,1,0|1,0,0]=3 129 B7R1.12 C[C@@H]1C[C@H]1C(=O)O BB32-3490 [0,0,0,0,2,0|1,0,0]=3 130 B7R1.12 C[C@H]1C[C@@H]1C(=O)O BB32-0696 [0,0,0,0,2,0|1,0,0]=3 131 B7R1.12 O=C(O)[C@@H]1C[C@H]1F BB31-3334 [0,0,0,0,2,0|1,0,0]=3 132 B9R0.4 CCCCC(C)CC(=O)O BB32-2471 [0,0,1,0,0,1|2,0,0]=4 133 B9R1.13 CC(=O)OC1CCCO1 BB31-3264 [1,0,0,0,0,1|2,0,0]=4 134 B9R1.13 O=C(O)CC1CCNC1 BB31-4791 [1,0,0,0,0,1|2,0,0]=4 135 B9R1.13 O=C(O)C[C@@H]1CCCN1 BB31-4906 [1,0,0,0,0,1|0,0,0]=2 136 B9R1.13 O=C(O)C[C@@H]1CCCN1 BB31-5437 [1,0,0,0,0,1|0,0,0]=2 137 B9R1.13 O=C(O)C[C@@H]1CCOC1 BB31-2581 [1,0,0,0,0,1|2,0,0]=4