0 B9R0.13 CCCC[C@H](NC)C(=O)O BB31-3398 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.8 CCCCC(=O)C(=O)O BB31-4311 [1,0,0,0,0,0|1,0,2]=4 2 B8R0.15 CCCC(CC)C(=O)O BB31-3760 [1,0,0,0,0,0|2,0,0]=3 3 B10R1.13 CC1=CCC(C(=O)O)CC1 BB32-2492 [0,0,0,1,0,0|2,0,1]=4 4 B10R1.13 O=C(O)C1CCC(F)CC1 BB31-7519 [0,0,0,1,0,0|3,0,0]=4 5 B10R1.61 CC(=O)N1CCCCC1=O BB32-1384 [0,0,0,1,0,0|1,0,2]=4 6 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O BB31-3040 [0,0,0,1,0,0|2,0,0]=3 7 B10R1.348 NC(=O)C1CCCCCC1 BB32-0810 [0,0,0,1,0,0|2,0,0]=3 8 B10R1.348 O=C(O)C1CCCNCC1 BB31-7509 [0,0,0,1,0,0|3,0,0]=4 9 B10R1.477 CC[C@@]1(C(=O)O)CCCN1 BB31-9551 [0,0,0,1,0,0|3,0,0]=4 10 B10R1.477 CC[C@]1(C(=O)O)CCCN1 BB31-9549 [0,0,0,1,0,0|3,0,0]=4 11 B10R0.87 CCCCC(CC)CC(=O)O BB31-4774 [0,0,0,0,0,1|2,0,0]=3 12 B7R0.4 NC(=O)CCCCO BB31-4574 [2,0,0,0,0,0|2,0,0]=4 13 B7R0.5 CC(CCO)C(N)=O BB31-7816 [2,0,0,0,0,0|2,0,0]=4 14 B7R0.15 CN[C@@H](CO)C(=O)O BB31-9937 [2,0,0,0,0,0|2,0,0]=4 15 B7R0.15 NC[C@H](CO)C(=O)O BB31-2226 [2,0,0,0,0,0|2,0,0]=4 16 B9R0.7 CC(C)CC[C@@H](N)C(=O)O BB31-2417 [1,1,0,0,0,0|2,0,0]=4 17 B9R0.33 CCCC(C(=O)O)C(C)C BB32-3199 [1,1,0,0,0,0|2,0,0]=4 18 B9R0.39 CC(C)C[C@@H](CN)C(=O)O BB31-9825 [1,1,0,0,0,0|2,0,0]=4 19 B9R0.39 CC(C)C[C@H](CN)C(=O)O BB31-1945 [1,1,0,0,0,0|2,0,0]=4 20 B9R0.39 CC(C)C[C@H](CN)C(=O)O BB31-4160 [1,1,0,0,0,0|2,0,0]=4 21 B9R0.74 CCCC(C)(CC)C(=O)O BB31-4690 [1,1,0,0,0,0|2,0,0]=4 22 B11R0.78 CCCC(CCCCN)C(=O)O BB58-3123 [0,2,0,0,0,0|2,0,0]=4 23 B11R0.36 CCCCN(CCCC)C(C)=O BB31-2980 [0,2,0,0,0,0|2,0,0]=4 24 B9R1.6 NC(=O)C1CCNCC1 BB32-1882 [1,0,0,1,0,0|2,0,0]=4 25 B9R1.6 O=C(O)[C@H]1CNCCO1 BB31-9515 [1,0,0,1,0,0|2,0,0]=4 26 B9R1.35 NC1CCC(C(=O)O)C1 BB31-5764 [1,0,0,1,0,0|2,0,0]=4 27 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 BB31-5110 [1,0,0,1,0,0|2,0,0]=4 28 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 BB31-7079 [1,0,0,1,0,0|2,0,0]=4 29 B9R1.35 O=C(O)C1CCC(O)C1 BB31-0171 [1,0,0,1,0,0|2,0,0]=4 30 B9R1.69 CN1CCC(N)CC1=O BB31-2065 [1,0,0,1,0,0|2,0,0]=4 31 B9R1.95 O=C(O)C1CC(CBr)C1 BB31-8450 [1,0,0,1,0,0|2,0,0]=4 32 B9R1.163 CC1(C(=O)O)CCNC1 BB31-6443 [1,0,0,1,0,0|2,0,0]=4 33 B9R1.163 C[C@@]1(C(=O)O)CCNC1 BB31-2661 [1,0,0,1,0,0|2,0,0]=4 34 B9R1.163 O=C(O)C1(F)CCCC1 BB31-2962 [1,0,0,1,0,0|2,0,0]=4 35 B9R1.1 C[C@@H]1CC[C@@H](CO)CN1 BB32-0772 [1,0,0,1,0,0|1,0,1]=4 36 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 BB32-3486 [1,0,0,1,0,0|1,0,1]=4 37 B9R1.15 CN1CCOCC1CO BB31-9068 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.15 CN[C@@H]1CCCC[C@H]1O BB31-4371 [1,0,0,1,0,0|1,0,0]=3 39 B9R1.15 COC1CCCCC1N BB32-2888 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.15 CO[C@H]1CCNC[C@@H]1O BB31-3834 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.21 OCC1CCN(CC)C1 BB52-8839 [1,0,0,1,0,0|1,0,1]=4 42 B9R1.89 OCC1CNCCCO1 BB31-5590 [1,0,0,1,0,0|2,0,0]=4 43 B9R1.204 OCC1(CO)CCCC1 BB32-3088 [1,0,0,1,0,0|0,0,2]=4 44 B9R1.41 CC1CCCC1C(=O)O BB32-2372 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O BB31-3041 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O BB32-3070 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O BB32-0417 [1,0,0,1,0,0|2,0,0]=4 48 B11R1.86 CC(=O)CN1CCCCC1C BB52-8403 [0,0,0,1,0,1|2,0,0]=4 49 B11R1.742 CC(=O)CN1CCCCCC1 BB52-8398 [0,0,0,1,0,1|2,0,0]=4 50 B11R1.166 CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O BB32-0892 [0,1,0,1,0,0|1,0,1]=4 51 B11R1.22 CC1CCN(C(=O)CBr)CC1 BB53-0040 [0,1,0,1,0,0|2,0,0]=4 52 B11R1.22 COC(=O)[C@@H]1CC[C@@H](C)NC1 BB31-0151 [0,1,0,1,0,0|1,0,0]=3 53 B11R1.22 COC(=O)[C@@H]1CC[C@@H](C)NC1 BB31-0152 [0,1,0,1,0,0|1,0,0]=3 54 B11R1.22 COC(=O)[C@@H]1CC[C@H](C)NC1 BB31-0147 [0,1,0,1,0,0|1,0,0]=3 55 B11R1.222 CC1CCCCN1C(=O)CBr BB52-8941 [0,1,0,1,0,0|2,0,0]=4 56 B11R1.852 COC(=O)C1CCCNCC1 BB31-2386 [0,1,0,1,0,0|2,0,0]=4 57 B11R1.852 O=C(CBr)N1CCCCCC1 BB52-9361 [0,1,0,1,0,0|2,0,0]=4 58 B11R1.3 CCN1CCC(C(=O)O)CC1 BB32-0745 [0,1,0,1,0,0|2,0,0]=4 59 B11R1.3 CCN1CCC(C(=O)O)CC1 BB52-2361 [0,1,0,1,0,0|2,0,0]=4 60 B11R1.298 CCN(C(C)=O)C1CCNC1 BB31-0630 [0,1,0,1,0,0|2,0,0]=4 61 B11R1.991 COCCCC1(C(=O)O)CC1 BB31-2603 [0,1,0,1,0,0|2,0,0]=4 62 B11R2.1839 O=C(O)C12CCC(CC1)C2 BB32-0510 [0,0,0,2,0,0|2,0,0]=4 63 B9R0.4 CCCCC(C)CC(=O)O BB32-2471 [1,0,0,0,0,1|1,0,0]=3 64 B9R0.4 CCCCC(O)CC(=O)O BB31-3463 [1,0,0,0,0,1|1,0,0]=3