0 B7R0.16 CC(C)C(C)C(=O)O BB31-8342 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.2 CC(C)C[N+](=O)[O-] BB32-3569 [1,0,0,0,0,0|1,0,2]=4 2 B6R0.3 CC[C@@H](C)C(=O)O BB31-4656 [1,0,0,0,0,0|1,0,1]=3 3 B6R0.3 CC[C@@H](O)C(=O)O BB31-3920 [1,0,0,0,0,0|0,0,2]=3 4 B6R0.3 CN(C)C(=O)CI BB31-8712 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.3 NC[C@@H](N)C(=O)O BB31-4003 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O BB31-5226 [0,1,0,0,0,0|2,0,1]=4 7 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O BB31-6183 [0,1,0,0,0,0|1,0,1]=3 8 B8R0.18 CC(C)=C(C#N)C(=O)O BB31-5676 [0,1,0,0,0,0|1,0,1]=3 9 B8R0.18 CC(C)[C@@H](CN)C(=O)O BB31-3788 [0,1,0,0,0,0|1,0,1]=3 10 B8R0.18 CC(C)[C@H](CN)C(=O)O BB31-1792 [0,1,0,0,0,0|1,0,1]=3 11 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O BB31-7670 [0,1,0,0,0,0|0,0,2]=3 12 B8R0.27 CC(C)(C)[C@H](O)C(=O)O BB31-5424 [0,1,0,0,0,0|0,0,2]=3 13 B8R0.27 CC(C)(O)[C@H](N)C(=O)O BB31-5147 [0,1,0,0,0,0|1,0,1]=3 14 B8R0.27 CN(C)C(=O)C(C)(C)N BB31-9446 [0,1,0,0,0,0|3,0,0]=4 15 B8R1.31 CC1CCC1C(=O)O BB31-4909 [0,0,0,1,0,0|1,0,1]=3 16 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O BB31-3568 [0,0,0,1,0,0|2,0,1]=4 17 B8R1.50 CN1CCC(=O)C1=O BB32-2163 [0,0,0,1,0,0|2,0,0]=3 18 B8R1.54 CC(Br)C(=O)C1CC1 BB32-2128 [0,0,0,1,0,0|2,0,1]=4 19 B8R0.23 C=C(CC(C)C)C(=O)O BB31-4322 [0,0,0,0,0,1|1,0,0]=2 20 B8R0.23 CC(=O)C(=O)OC(C)C BB31-7341 [0,0,0,0,0,1|1,0,0]=2 21 B8R0.23 CC(C)[C@H](N)CC(=O)O BB31-7640 [0,0,0,0,0,1|1,0,1]=3 22 B5R0.1 O=C(O)CCF BB32-2513 [2,0,0,0,0,0|1,0,1]=4 23 B5R0.1 O=C(O)\C=C\Br BB31-5400 [2,0,0,0,0,0|1,0,1]=4 24 B5R0.3 CCC(=O)CN BB31-8248 [2,0,0,0,0,0|1,0,1]=4 25 B5R0.5 CC(=O)C(N)=O BB32-3571 [2,0,0,0,0,0|1,0,0]=3 26 B7R0.2 CCC(N)CC(=O)O BB31-5235 [1,1,0,0,0,0|1,0,1]=4 27 B7R0.2 CC[C@H](N)CC(=O)O BB31-2771 [1,1,0,0,0,0|1,0,1]=4 28 B7R0.5 NCCC(F)C(=O)O BB31-4428 [1,1,0,0,0,0|1,0,1]=4 29 B7R0.10 COC(=O)C(C)CN BB31-6417 [1,1,0,0,0,0|2,0,0]=4 30 B7R0.10 COC(=O)[C@@H](C)CBr BB31-6195 [1,1,0,0,0,0|2,0,0]=4 31 B7R0.10 C\C=C(/Br)C(=O)OC BB31-3618 [1,1,0,0,0,0|1,0,1]=4 32 B7R0.14 CC(C)(C)C(=O)CO BB32-2137 [1,1,0,0,0,0|0,0,1]=3 33 B9R0.10 CC(C)(C)[C@H](N)CC(=O)O BB31-5066 [0,1,0,0,0,1|1,0,1]=4 34 B9R0.11 CN(C)S(=O)(=O)CC(=O)O BB31-9226 [0,1,0,0,0,1|2,0,0]=4 35 B9R0.23 COC(=O)C(=O)CC(C)C BB31-6224 [0,1,0,0,0,1|0,0,0]=2 36 B9R0.23 COC(=O)C(O)CC(C)C BB32-2157 [0,1,0,0,0,1|0,0,2]=4 37 B9R0.39 CC(C)C[C@@H](CN)C(=O)O BB31-9825 [0,1,0,0,0,1|1,0,1]=4 38 B9R0.39 CC(C)C[C@H](CN)C(=O)O BB31-1945 [0,1,0,0,0,1|1,0,1]=4 39 B9R0.39 CC(C)C[C@H](CN)C(=O)O BB31-4160 [0,1,0,0,0,1|1,0,1]=4 40 B9R0.39 CC(C)\C=C(\C#N)C(=O)O BB31-7111 [0,1,0,0,0,1|1,0,0]=3 41 B9R0.42 COC(=O)CC(=O)C(=O)O BB31-1911 [0,1,0,0,0,1|1,0,1]=4 42 B9R0.42 COC(=O)CC(=O)C(C)Br BB31-4983 [0,1,0,0,0,1|1,0,0]=3 43 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O BB31-4655 [0,1,0,0,0,1|1,0,1]=4 44 B9R0.57 C[C@@H](O)C(=O)OC(C)(C)C BB31-4646 [0,1,0,0,0,1|1,0,1]=4 45 B9R0.57 C[C@H](O)C(=O)OC(C)(C)C BB31-9611 [0,1,0,0,0,1|1,0,1]=4 46 B9R0.27 CCC(C)C(N)C(=O)OC BB32-1071 [0,2,0,0,0,0|1,0,1]=4 47 B9R0.27 CCC(C)C(O)C(=O)OC BB31-7708 [0,2,0,0,0,0|0,0,2]=4 48 B9R0.33 CCCC(C(=O)O)C(C)C BB32-3199 [0,2,0,0,0,0|1,0,1]=4 49 B7R1.2 C[C@@H]1CCC(=O)N1 BB31-7724 [1,0,0,1,0,0|2,0,0]=4 50 B7R1.2 C[C@H]1CCC(=O)N1 BB31-2966 [1,0,0,1,0,0|2,0,0]=4 51 B7R1.2 O=C1CC(O)CO1 BB31-5337 [1,0,0,1,0,0|1,0,1]=4 52 B7R1.12 C[C@@H]1C[C@H]1C(=O)O BB32-3490 [1,0,0,1,0,0|0,0,1]=3 53 B7R1.12 C[C@H]1C[C@@H]1C(=O)O BB32-0696 [1,0,0,1,0,0|0,0,1]=3 54 B7R1.12 O=C(O)[C@@H]1C[C@H]1F BB31-3334 [1,0,0,1,0,0|1,0,1]=4 55 B7R1.16 CC1(C)CC(=O)N1 BB32-2836 [1,0,0,1,0,0|1,0,1]=4 56 B7R1.4 NC1CCOC1=O BB52-6516 [1,0,0,1,0,0|1,0,1]=4 57 B7R1.18 O=C(O)C1=CCC1 BB32-1171 [1,0,0,1,0,0|1,0,0]=3 58 B7R1.19 O=C(O)C1(Br)CC1 BB31-8489 [1,0,0,1,0,0|1,0,1]=4 59 B9R1.35 CC(C)C1=NNC(=O)O1 BB31-8249 [0,0,0,1,0,1|2,0,0]=4 60 B9R1.69 CN1CCC(=O)CC1=O BB31-0803 [0,0,0,1,0,1|2,0,0]=4 61 B9R1.69 NC1CCC(=O)NC1=O BB31-4243 [0,0,0,1,0,1|2,0,0]=4 62 B9R1.69 N[C@@H]1CCC(=O)NC1=O BB32-0560 [0,0,0,1,0,1|2,0,0]=4 63 B9R1.112 O=C(O)C(=O)NC1CC1 BB31-3741 [0,0,0,1,0,1|0,0,0]=2 64 B9R1.41 CC1CCCC1C(=O)O BB32-2372 [0,1,0,1,0,0|1,0,1]=4 65 B9R1.101 COC(=O)[C@@H](N)C1CC1 BB31-2388 [0,1,0,1,0,0|1,0,1]=4 66 B9R1.110 O=C(O)C(=O)C1CCC1 BB31-7654 [0,1,0,1,0,0|0,0,0]=2 67 B9R2.143 O=C(O)C1CC12CC2 BB32-0327 [0,0,0,2,0,0|1,0,1]=4 68 B7R0.6 CC(=O)NNC(C)C BB32-2318 [1,0,0,0,0,1|2,0,0]=4 69 B7R0.6 CC(=O)\C=C\C(=O)O BB31-4699 [1,0,0,0,0,1|1,0,1]=4 70 B7R0.6 CC(N)CCC(=O)O BB31-2419 [1,0,0,0,0,1|1,0,1]=4 71 B9R0.7 CC(C)CC[C@@H](N)C(=O)O BB31-2417 [0,0,0,0,0,2|1,0,1]=4