0 B7R0.16 CC(C)C(C)C(=O)O BB31-8342 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.16 CC(C)C(N)C(C)C BB32-2069 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.2 CC(C)C[N+](=O)[O-] BB32-3569 [1,0,0,0,0,0|2,0,1]=4 3 B6R0.3 C=C[C@H](N)C(=O)O BB31-5208 [1,0,0,0,0,0|0,0,2]=3 4 B6R0.3 CC(C#N)C(=O)O BB32-3033 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.3 CC[C@@H](C)C(=O)O BB31-4656 [1,0,0,0,0,0|1,0,0]=2 6 B6R0.3 CC[C@@H](O)C(=O)O BB31-3920 [1,0,0,0,0,0|1,0,0]=2 7 B6R0.3 NC[C@@H](N)C(=O)O BB31-4003 [1,0,0,0,0,0|1,0,0]=2 8 B8R0.2 COC(=O)C(C)C(C)=O BB32-0377 [0,1,0,0,0,0|1,0,2]=4 9 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O BB31-5226 [0,1,0,0,0,0|0,0,0]=1 10 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O BB31-6183 [0,1,0,0,0,0|0,0,0]=1 11 B8R0.18 CC(C)[C@@H](CN)C(=O)O BB31-3788 [0,1,0,0,0,0|1,0,0]=2 12 B8R0.18 CC(C)[C@H](CN)C(=O)O BB31-1792 [0,1,0,0,0,0|1,0,0]=2 13 B8R0.27 CC(C(=O)O)C(F)(F)F BB32-1822 [0,1,0,0,0,0|3,0,0]=4 14 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O BB31-7670 [0,1,0,0,0,0|2,0,0]=3 15 B8R0.27 CC(C)(C)[C@H](O)C(=O)O BB31-5424 [0,1,0,0,0,0|2,0,0]=3 16 B8R0.27 CC(C)(O)[C@H](N)C(=O)O BB31-5147 [0,1,0,0,0,0|0,0,0]=1 17 B8R1.31 CC1CCC1C(=O)O BB31-4909 [0,0,0,1,0,0|2,0,0]=3 18 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O BB31-3568 [0,0,0,1,0,0|2,0,0]=3 19 B8R1.77 O=C(O)[C@@H]1CC1(F)F BB31-4050 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.77 O=C(O)[C@H]1CC1(F)F BB31-3198 [0,0,0,1,0,0|3,0,0]=4 21 B8R0.23 C=C(CC(C)C)C(=O)O BB31-4322 [0,0,0,0,0,1|2,0,1]=4 22 B8R0.23 CC(=O)C(C)CC(=O)O BB31-6096 [0,0,0,0,0,1|1,0,2]=4 23 B8R0.23 CC(C)[C@H](N)CC(=O)O BB31-7640 [0,0,0,0,0,1|1,0,0]=2 24 B5R0.1 CC(=O)CCBr BB31-4479 [2,0,0,0,0,0|2,0,0]=4 25 B5R0.1 CC(O)CCBr BB32-3029 [2,0,0,0,0,0|1,0,1]=4 26 B5R0.1 COCC(N)=O BB31-3207 [2,0,0,0,0,0|2,0,0]=4 27 B5R0.1 O=C(O)CCF BB32-2513 [2,0,0,0,0,0|1,0,0]=3 28 B5R0.3 C=C[C@H](N)CO BB32-0951 [2,0,0,0,0,0|1,0,0]=3 29 B5R0.3 O=C[C@H](O)CO BB31-6122 [2,0,0,0,0,0|1,0,0]=3 30 B7R0.2 CCC(N)CC(=O)O BB31-5235 [1,1,0,0,0,0|1,0,0]=3 31 B7R0.2 CC[C@H](N)CC(=O)O BB31-2771 [1,1,0,0,0,0|1,0,0]=3 32 B7R0.5 CC(C)C(N)CCO BB31-5763 [1,1,0,0,0,0|1,0,1]=4 33 B7R0.5 CC(CCO)C(N)=O BB31-7816 [1,1,0,0,0,0|2,0,0]=4 34 B7R0.5 NCCC(F)C(=O)O BB31-4428 [1,1,0,0,0,0|1,0,0]=3 35 B7R0.10 COC(=O)C(C)CN BB31-6417 [1,1,0,0,0,0|2,0,0]=4 36 B7R0.10 COC(=O)[C@@H](C)CBr BB31-6195 [1,1,0,0,0,0|2,0,0]=4 37 B7R0.13 CC(=O)C(C)(C)CO BB32-0806 [1,1,0,0,0,0|2,0,0]=4 38 B7R0.13 CC(C)(CN)C(=O)O BB31-3976 [1,1,0,0,0,0|2,0,0]=4 39 B7R0.13 CC(C)(CN)C(=O)O BB31-5761 [1,1,0,0,0,0|2,0,0]=4 40 B7R0.13 C[C@@](N)(CO)C(=O)O BB31-6838 [1,1,0,0,0,0|0,0,0]=2 41 B7R0.13 NCC(F)(F)C(=O)O BB31-0714 [1,1,0,0,0,0|2,0,0]=4 42 B7R0.13 NCC(F)(F)C(=O)O BB32-1782 [1,1,0,0,0,0|2,0,0]=4 43 B7R0.15 CN[C@@H](CO)C(=O)O BB31-9937 [1,1,0,0,0,0|0,0,0]=2 44 B7R0.15 NC[C@H](CO)C(=O)O BB31-2226 [1,1,0,0,0,0|0,0,0]=2 45 B9R0.10 CC(C)(C)[C@H](N)CC(=O)O BB31-5066 [0,1,0,0,0,1|1,0,0]=3 46 B9R0.23 COC(=O)C(O)CC(C)C BB32-2157 [0,1,0,0,0,1|2,0,0]=4 47 B9R0.39 CC(C)C[C@@H](CN)C(=O)O BB31-9825 [0,1,0,0,0,1|1,0,0]=3 48 B9R0.39 CC(C)C[C@H](CN)C(=O)O BB31-1945 [0,1,0,0,0,1|1,0,0]=3 49 B9R0.39 CC(C)C[C@H](CN)C(=O)O BB31-4160 [0,1,0,0,0,1|1,0,0]=3 50 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O BB31-4655 [0,1,0,0,0,1|1,0,0]=3 51 B9R0.27 CCC(C)C(N)C(=O)OC BB32-1071 [0,2,0,0,0,0|1,0,0]=3 52 B9R0.27 CCC(C)C(O)C(=O)OC BB31-7708 [0,2,0,0,0,0|2,0,0]=4 53 B9R0.28 CCC(O)C(F)(F)C(=O)O BB31-0944 [0,2,0,0,0,0|1,0,0]=3 54 B9R0.33 CCCC(C(=O)O)C(C)C BB32-3199 [0,2,0,0,0,0|2,0,0]=4 55 B7R1.2 N[C@H]1CNC(=O)C1 BB31-3703 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.2 O=C1CC(O)CO1 BB31-5337 [1,0,0,1,0,0|0,0,0]=2 57 B7R1.2 O=C1CCC(O)C1 BB31-4994 [1,0,0,1,0,0|1,0,0]=3 58 B7R1.12 C[C@@H]1C[C@H]1C(=O)O BB32-3490 [1,0,0,1,0,0|1,0,0]=3 59 B7R1.12 C[C@H]1C[C@@H]1C(=O)O BB32-0696 [1,0,0,1,0,0|1,0,0]=3 60 B7R1.12 O=C(O)[C@@H]1C[C@H]1F BB31-3334 [1,0,0,1,0,0|1,0,0]=3 61 B7R1.16 CC1(C)CC(=O)N1 BB32-2836 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.16 O=S1(=O)CC(O)C1 BB31-7627 [1,0,0,1,0,0|1,0,1]=4 63 B7R1.4 NC1CCNC1=O BB31-0754 [1,0,0,1,0,0|1,0,0]=3 64 B7R1.4 NC1CCOC1=O BB52-6516 [1,0,0,1,0,0|0,0,0]=2 65 B7R1.4 N[C@@H]1COC[C@@H]1O BB32-0460 [1,0,0,1,0,0|0,0,1]=3 66 B7R1.4 N[C@@H]1COC[C@H]1O BB31-5283 [1,0,0,1,0,0|0,0,1]=3 67 B7R1.4 N[C@@H]1COC[C@H]1O BB32-1570 [1,0,0,1,0,0|0,0,1]=3 68 B7R1.4 N[C@H]1COC[C@@H]1N BB32-2872 [1,0,0,1,0,0|1,0,1]=4 69 B7R1.4 N[C@H]1COC[C@@H]1O BB31-3986 [1,0,0,1,0,0|0,0,1]=3 70 B7R1.4 N[C@H]1COC[C@@H]1O BB32-1041 [1,0,0,1,0,0|0,0,1]=3 71 B7R1.18 O=C(O)C1=CCC1 BB32-1171 [1,0,0,1,0,0|1,0,1]=4 72 B7R1.18 O=C(O)C1COC1 BB31-0382 [1,0,0,1,0,0|1,0,0]=3 73 B7R1.19 CC1(C(N)=O)CC1 BB31-3052 [1,0,0,1,0,0|2,0,0]=4 74 B7R1.19 O=C(O)C1(Br)CC1 BB31-8489 [1,0,0,1,0,0|1,0,0]=3 75 B9R1.35 NC(=O)[C@@H]1C[C@@H](O)CN1 BB31-5360 [0,0,0,1,0,1|1,0,0]=3 76 B9R1.35 NC1CCC(C(=O)O)C1 BB31-5764 [0,0,0,1,0,1|2,0,0]=4 77 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 BB31-5110 [0,0,0,1,0,1|2,0,0]=4 78 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 BB31-7079 [0,0,0,1,0,1|2,0,0]=4 79 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 BB32-0526 [0,0,0,1,0,1|1,0,0]=3 80 B9R1.35 O=C(O)C1CCC(O)C1 BB31-0171 [0,0,0,1,0,1|1,0,0]=3 81 B9R1.36 NC1CS(=O)(=O)CC1O BB52-0909 [0,0,0,1,0,1|1,0,1]=4 82 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 BB31-2410 [0,0,0,1,0,1|1,0,0]=3 83 B9R1.41 CC1CCCC1C(=O)O BB32-2372 [0,1,0,1,0,0|2,0,0]=4 84 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O BB31-3041 [0,1,0,1,0,0|2,0,0]=4 85 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O BB32-3070 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O BB32-0417 [0,1,0,1,0,0|2,0,0]=4 87 B9R1.101 COC(=O)[C@@H](N)C1CC1 BB31-2388 [0,1,0,1,0,0|1,0,0]=3 88 B9R2.143 O=C(O)C1CC12CC2 BB32-0327 [0,0,0,2,0,0|2,0,0]=4 89 B7R0.6 CC(=O)NCC(C)O BB31-7690 [1,0,0,0,0,1|1,0,0]=3 90 B7R0.6 CC(N)CCC(=O)O BB31-2419 [1,0,0,0,0,1|1,0,0]=3 91 B7R0.6 CC(O)CCC(=O)[O-] BB31-5329 [1,0,0,0,0,1|0,0,1]=3 92 B9R0.7 CC(C)CC[C@@H](N)C(=O)O BB31-2417 [0,0,0,0,0,2|1,0,0]=3 93 B9R0.53 NC(CC(=O)O)CC(=O)O BB31-7764 [0,0,0,0,0,2|1,0,1]=4 94 B9R0.53 NC(CC(=O)O)CC(=O)O BB31-7919 [0,0,0,0,0,2|1,0,1]=4