0 B8R0.9 C=CC(=O)NCC(=O)O BB31-4277 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.9 CC(=O)NNC(=O)CBr BB31-9622 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.9 CCC(=O)NCC(C)C BB32-3399 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.9 CCC(C)CCC(C)=O BB31-3584 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.9 COC(=O)CNC(C)=O BB31-6237 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.6 CC(=O)NCC(C)O BB31-7690 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.6 CC(=O)\C=C\C(=O)O BB31-4699 [1,0,0,0,0,0|0,0,2]=3 7 B7R0.6 CC(N)CCC(=O)O BB31-2419 [1,0,0,0,0,0|1,0,1]=3 8 B7R0.6 CC(O)CCC(=O)[O-] BB31-5329 [1,0,0,0,0,0|0,0,3]=4 9 B9R0.23 COC(=O)C(=O)CC(C)C BB31-6224 [0,1,0,0,0,0|1,0,2]=4 10 B9R0.23 COC(=O)C(O)CC(C)C BB32-2157 [0,1,0,0,0,0|1,0,1]=3 11 B9R0.23 COC(=O)[C@H](N)CC(N)=O BB32-0096 [0,1,0,0,0,0|1,0,0]=2 12 B9R0.24 CCC(=O)CCC(=O)CC BB31-4562 [0,1,0,0,0,0|1,0,0]=2 13 B9R0.42 COC(=O)CC(=O)C(=O)O BB31-1911 [0,1,0,0,0,0|1,0,1]=3 14 B9R0.42 COC(=O)CC(=O)C(C)Br BB31-4983 [0,1,0,0,0,0|1,0,2]=4 15 B9R0.42 COC(=O)C[C@@H](C)C(=O)O BB31-5539 [0,1,0,0,0,0|1,0,0]=2 16 B9R0.42 COC(=O)C[C@H](C)C(=O)O BB31-9056 [0,1,0,0,0,0|1,0,0]=2 17 B9R0.43 COC(CNC(C)=O)OC BB32-3584 [0,1,0,0,0,0|1,0,2]=4 18 B9R0.48 CCOC(=O)OCC(C)C BB31-5205 [0,1,0,0,0,0|2,0,1]=4 19 B9R0.48 CCOC(=O)\C=C\C(C)=O BB31-0204 [0,1,0,0,0,0|0,0,2]=3 20 B9R1.1 CON1CCC(=O)CC1 BB31-8752 [0,0,0,1,0,0|2,0,0]=3 21 B9R1.35 CC(=O)N1CCC(=O)C1 BB32-2049 [0,0,0,1,0,0|2,0,0]=3 22 B9R1.69 C[C@@H]1NC(=O)CNC1=O BB32-2306 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.82 COC(=O)C1CC(Cl)C1 BB31-3084 [0,0,0,1,0,0|1,0,1]=3 24 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 BB32-3300 [0,0,0,1,0,0|0,0,2]=3 25 B9R0.1 C=C(C)CCCC(=O)OC BB32-1876 [0,0,0,0,0,1|1,0,0]=2 26 B6R0.1 C#CCC(=O)OC BB32-1580 [2,0,0,0,0,0|0,0,2]=4 27 B6R0.1 CCCC(=O)CCl BB31-4027 [2,0,0,0,0,0|2,0,0]=4 28 B6R0.4 CC(=O)CCCBr BB31-6000 [2,0,0,0,0,0|1,0,1]=4 29 B6R0.4 COCCC(=N)N BB31-7023 [2,0,0,0,0,0|2,0,0]=4 30 B6R0.4 COCOC(C)=O BB32-2824 [2,0,0,0,0,0|1,0,0]=3 31 B8R0.6 CCNCCC(=O)OC BB31-6215 [1,1,0,0,0,0|0,0,1]=3 32 B8R0.8 CCCCC(=O)[C@H](C)N BB31-2998 [1,1,0,0,0,0|1,0,1]=4 33 B8R0.19 CC[C@H](O)CC(=O)OC BB31-5331 [1,1,0,0,0,0|0,0,1]=3 34 B8R0.5 CCCC(C)CC(C)=O BB32-3065 [1,1,0,0,0,0|1,0,1]=4 35 B8R0.28 CC(=O)CCOC(C)=O BB31-0205 [1,1,0,0,0,0|2,0,0]=4 36 B8R0.23 CC(=O)C(C)CC(=O)O BB31-6096 [1,1,0,0,0,0|0,0,0]=2 37 B8R0.23 CC(C)[C@H](N)CC(=O)O BB31-7640 [1,1,0,0,0,0|1,0,1]=4 38 B8R0.2 COC(=O)C(C)C(C)=O BB32-0377 [0,1,0,0,1,0|0,0,0]=2 39 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O BB31-5226 [0,1,0,0,1,0|0,0,2]=4 40 B8R0.24 CNC(=O)CS(C)(=O)=O BB31-1770 [0,1,0,0,1,0|2,0,0]=4 41 B8R0.24 COC(=O)CC(C)(C)O BB32-3552 [0,1,0,0,1,0|0,0,2]=4 42 B10R0.3 C=C(C)CCCC(=O)OCC BB32-1627 [0,1,0,0,0,1|1,0,0]=3 43 B10R0.3 CCCC(=O)CCCC(=O)O BB31-4914 [0,1,0,0,0,1|2,0,0]=4 44 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O BB31-4956 [0,1,0,0,0,1|1,0,0]=3 45 B10R0.57 COC(=O)[C@H](N)CCC(N)=O BB32-3917 [0,1,0,0,0,1|1,0,0]=3 46 B10R0.47 COC(=O)CC(C)(C)C(=O)O BB32-2604 [0,2,0,0,0,0|1,0,0]=3 47 B10R0.96 CC(=O)CC(=O)CCC(=O)O BB31-5881 [0,2,0,0,0,0|2,0,0]=4 48 B8R1.1 COC1=CC(=O)CC1 BB31-5801 [1,0,0,1,0,0|1,0,0]=3 49 B8R1.5 CC1COCCC1=O BB31-0779 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.22 O=C1CCCOCC1 BB32-3102 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.38 COC(=O)C1COC1 BB31-3226 [1,0,0,1,0,0|1,0,0]=3 52 B8R1.40 COC(=O)CC1CC1 BB32-1998 [1,0,0,1,0,0|0,0,1]=3 53 B8R1.4 CN1CCCC(=O)C1 BB31-5533 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.4 C[C@H]1CC(=O)CCN1 BB32-0051 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.6 COCC1CC(=O)C1 BB31-5157 [1,0,0,1,0,0|0,0,1]=3 56 B8R1.34 O=C(O)CC1COC1 BB31-1686 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 BB31-7196 [1,0,0,1,0,0|1,0,1]=4 58 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 BB31-8607 [1,0,0,1,0,0|1,0,1]=4 59 B8R1.23 O=C(O)C1CC(Cl)C1 BB31-7948 [1,0,0,1,0,0|1,0,1]=4 60 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 BB31-0994 [1,0,0,1,0,0|1,0,1]=4 61 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 BB31-0993 [1,0,0,1,0,0|1,0,1]=4 62 B8R1.51 CC1(C)CCC(=O)O1 BB31-8004 [1,0,0,1,0,0|1,0,1]=4 63 B10R1.13 C=C1CCN(C(C)=O)CC1 BB31-4625 [0,0,0,1,0,1|2,0,0]=4 64 B10R1.14 COC(=O)C1=CC(=O)CC1 BB31-9888 [0,0,0,1,0,1|0,0,1]=3 65 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 BB31-1920 [0,0,0,1,0,1|0,0,0]=2 66 B10R1.14 COC(=O)[C@@H]1CCC(=O)O1 BB31-8179 [0,0,0,1,0,1|1,0,0]=3 67 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 BB31-5268 [0,0,0,1,0,1|1,0,1]=4 68 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 BB31-3489 [0,0,0,1,0,1|1,0,1]=4 69 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 BB31-3426 [0,0,0,1,0,1|0,0,2]=4 70 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 BB31-1508 [0,0,0,1,0,1|1,0,1]=4 71 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 BB32-2988 [0,0,0,1,0,1|1,0,1]=4 72 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 BB31-1919 [0,0,0,1,0,1|0,0,0]=2 73 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 BB32-0731 [0,0,0,1,0,1|1,0,1]=4 74 B10R1.14 COC(=O)[C@H]1C[C@@H](F)CN1 BB31-2804 [0,0,0,1,0,1|1,0,1]=4 75 B10R1.54 CC(C)C[C@H]1COC(=O)N1 BB32-0436 [0,0,0,1,0,1|1,0,1]=4 76 B10R1.54 O=C(O)CC1CCC(=O)C1 BB31-7997 [0,0,0,1,0,1|2,0,0]=4 77 B10R1.54 O=C(O)CC1CCC(=O)O1 BB54-4135 [0,0,0,1,0,1|2,0,0]=4 78 B10R1.194 CN1C(=O)CCC1C(=O)O BB51-0407 [0,0,0,1,0,1|2,0,0]=4 79 B10R1.58 CN1CC(C(=O)O)CC1=O BB52-0174 [0,1,0,1,0,0|2,0,0]=4 80 B10R1.413 COC(=O)C1CC(C)(C)C1 BB32-2120 [0,1,0,1,0,0|1,0,1]=4 81 B10R1.424 COC(=O)[C@]1(C)C[C@H](O)C1 BB32-3540 [0,1,0,1,0,0|0,0,2]=4 82 B10R1.113 CC(=O)N1CCNC(=O)C1 BB31-3650 [0,1,0,1,0,0|2,0,0]=4