0 B9R0.7 CC(C)CC[C@@H](N)C(=O)O BB31-2417 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O BB32-2964 [0,0,0,0,0,0|1,0,0]=1 2 B8R0.8 C=CCC[C@H](N)C(=O)O BB31-7442 [1,0,0,0,0,0|1,0,0]=2 3 B8R0.28 CC(=O)CCOC(C)=O BB31-0205 [1,0,0,0,0,0|3,0,0]=4 4 B8R0.28 NC(=O)CCCC(N)=O BB31-6283 [1,0,0,0,0,0|2,0,0]=3 5 B8R0.28 O=C(O)CCC[N+](=O)[O-] BB31-3252 [1,0,0,0,0,0|1,0,1]=3 6 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O BB31-4956 [0,1,0,0,0,0|1,0,0]=2 7 B10R0.57 COC(=O)[C@H](N)CCC(N)=O BB32-3917 [0,1,0,0,0,0|1,0,0]=2 8 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O BB31-7426 [0,1,0,0,0,0|0,0,0]=1 9 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O BB31-3055 [0,1,0,0,0,0|0,0,0]=1 10 B10R1.13 CC1=CCC(C(=O)O)CC1 BB32-2492 [0,0,0,1,0,0|3,0,0]=4 11 B10R1.13 O=C(O)C1CCC(O)CN1 BB31-1677 [0,0,0,1,0,0|1,0,1]=3 12 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 BB32-0576 [0,0,0,1,0,0|1,0,1]=3 13 B10R1.58 CN1CC(C(=O)O)CC1=O BB52-0174 [0,0,0,1,0,0|3,0,0]=4 14 B10R1.470 C[C@@]1(C(=O)O)CCC(=O)N1 BB32-0853 [0,0,0,1,0,0|2,0,0]=3 15 B8R0.23 CC(=O)C(C)CC(=O)O BB31-6096 [0,0,0,0,1,0|2,0,0]=3 16 B8R0.23 CC(C)[C@H](N)CC(=O)O BB31-7640 [0,0,0,0,1,0|2,0,1]=4 17 B10R0.96 CC(=O)CC(=O)CCC(=O)O BB31-5881 [0,0,0,0,0,1|2,0,1]=4 18 B7R0.4 N#CCCCC(=O)O BB31-7795 [2,0,0,0,0,0|1,0,1]=4 19 B7R0.4 NC(=O)CCCCO BB31-4574 [2,0,0,0,0,0|1,0,1]=4 20 B7R0.5 CC(CCO)C(N)=O BB31-7816 [2,0,0,0,0,0|2,0,0]=4 21 B7R0.5 NCCC(F)C(=O)O BB31-4428 [2,0,0,0,0,0|2,0,0]=4 22 B7R0.6 CC(N)CCC(=O)O BB31-2419 [2,0,0,0,0,0|0,0,1]=3 23 B7R0.6 CC(O)CCC(=O)[O-] BB31-5329 [2,0,0,0,0,0|1,0,1]=4 24 B9R0.13 CCCC[C@H](NC)C(=O)O BB31-3398 [1,1,0,0,0,0|1,0,1]=4 25 B9R0.47 C=CCCC[C@@H](N)C(=O)O BB31-8480 [1,1,0,0,0,0|1,0,0]=3 26 B9R0.51 C=CCCC(C)(C)C(=O)O BB32-3030 [1,1,0,0,0,0|2,0,0]=4 27 B9R0.1 C=C(C)CCCC(=O)OC BB32-1876 [1,1,0,0,0,0|2,0,0]=4 28 B9R0.53 C\C(=C/C(=O)O)CC(=O)O BB32-3146 [1,1,0,0,0,0|0,0,2]=4 29 B9R0.53 NC(CC(=O)O)CC(=O)O BB31-7764 [1,1,0,0,0,0|0,0,0]=2 30 B9R0.53 NC(CC(=O)O)CC(=O)O BB31-7919 [1,1,0,0,0,0|0,0,0]=2 31 B9R0.39 CN[C@@H](CC(N)=O)C(=O)O BB31-7264 [0,1,0,0,1,0|1,0,0]=3 32 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O BB32-3117 [0,1,0,0,1,0|1,0,0]=3 33 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O BB31-2631 [0,1,0,0,0,1|0,0,0]=2 34 B9R1.35 O=C(O)C1CCC(O)C1 BB31-0171 [1,0,0,1,0,0|1,0,1]=4 35 B9R1.69 NC1CCC(=O)NC1=O BB31-4243 [1,0,0,1,0,0|1,0,0]=3 36 B9R1.69 N[C@@H]1CCC(=O)NC1=O BB32-0560 [1,0,0,1,0,0|1,0,0]=3 37 B9R1.1 O=CC1CCC(=O)CC1 BB31-5251 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O BB31-2567 [1,0,0,1,0,0|0,0,0]=2 39 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O BB32-3765 [1,0,0,1,0,0|0,0,0]=2 40 B9R1.152 CC1(C(=O)O)CC(=O)C1 BB31-4490 [0,0,0,1,1,0|2,0,0]=4 41 B11R1.175 O=C(O)[C@@H]1CN[C@H](C(=O)O)C1 BB32-3593 [0,0,0,1,0,1|1,0,0]=3 42 B11R1.849 COC(=O)[C@@H]1C[C@H]1CC(=O)O BB31-3453 [0,1,0,1,0,0|1,0,0]=3 43 B11R1.853 COC(=O)C1CC(C(=O)O)C1 BB31-0457 [0,1,0,1,0,0|1,0,0]=3 44 B7R0.2 CCC(N)CC(=O)O BB31-5235 [1,0,0,0,1,0|1,0,1]=4 45 B7R0.2 CC[C@H](N)CC(=O)O BB31-2771 [1,0,0,0,1,0|1,0,1]=4 46 B9R0.4 CSCC[C@H](N)CC(=O)O BB31-6882 [1,0,0,0,0,1|2,0,0]=4 47 B9R0.4 CSCC[C@H](N)CC(=O)O BB32-1606 [1,0,0,0,0,1|2,0,0]=4 48 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O BB32-1271 [0,0,0,0,0,2|1,0,0]=3