0 B9R0.7 CC(C)=CC[C@H](N)C(=O)O BB32-0842 [0,0,0,0,0,0|1,0,1]=2 1 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O BB12-2279 [0,0,0,0,0,0|0,0,0]=0 2 B9R0.7 N=C(N)NCC(N)C(=O)O BB57-4807 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.8 CCCCC(N)C(C)=O BB54-3218 [1,0,0,0,0,0|2,0,0]=3 4 B8R0.8 CCCC[C@H](N)C(=O)O BB12-2277 [1,0,0,0,0,0|1,0,0]=2 5 B8R0.8 CCCOC(C)C(=O)O BB55-7871 [1,0,0,0,0,0|3,0,0]=4 6 B8R0.28 CC(C)CNCC(=O)O BB20-0181 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.28 CN(C)CCCC(=O)O BB01-6266 [1,0,0,0,0,0|1,0,0]=2 8 B8R0.28 NC(=O)CCCC(=O)O BB12-2466 [1,0,0,0,0,0|3,0,0]=4 9 B10R0.82 NCC(O)CCC(N)C(=O)O BB57-4923 [0,1,0,0,0,0|2,0,0]=3 10 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O BB55-4258 [0,1,0,0,0,0|1,0,1]=3 11 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O BB57-6132 [0,1,0,0,0,0|1,0,1]=3 12 B10R1.13 CN1CCC(C(=O)Cl)CC1 BB58-1946 [0,0,0,1,0,0|3,0,0]=4 13 B10R1.13 CN1CCC(C(=O)O)CC1 BB12-2769 [0,0,0,1,0,0|2,0,0]=3 14 B10R1.13 CN1CCC(C(=O)O)CC1 BB56-1999 [0,0,0,1,0,0|2,0,0]=3 15 B10R1.13 CN1CCC(C(N)=O)CC1 BB55-7972 [0,0,0,1,0,0|3,0,0]=4 16 B10R1.359 CC1(C)CC(C(=O)O)CO1 BB58-3828 [0,0,0,1,0,0|3,0,0]=4 17 B10R1.359 CC1(C)CCC(C(=O)O)O1 BB58-4799 [0,0,0,1,0,0|2,0,0]=3 18 B10R1.359 CC1(C)NC(C(=O)O)CS1 BB57-4281 [0,0,0,1,0,0|2,0,0]=3 19 B10R1.470 CN1CCC(C)(C(=O)O)C1 BB58-0308 [0,0,0,1,0,0|2,0,0]=3 20 B8R0.23 CC(C)CC(N)C(N)=O BB57-6612 [0,0,0,0,1,0|2,0,0]=3 21 B8R0.23 CC(CN(C)C)C(=O)O BB12-1434 [0,0,0,0,1,0|2,0,0]=3 22 B7R0.3 CCCCC(N)CO BB56-2048 [2,0,0,0,0,0|1,0,1]=4 23 B7R0.3 CSCCC(N)CO BB56-2047 [2,0,0,0,0,0|0,0,2]=4 24 B7R0.4 CC(C)CCCCO BB12-2305 [2,0,0,0,0,0|1,0,1]=4 25 B7R0.4 CCCNCC(=O)O BB20-0186 [2,0,0,0,0,0|2,0,0]=4 26 B7R0.4 CCCOCC(=O)O BB55-7872 [2,0,0,0,0,0|2,0,0]=4 27 B7R0.4 CCCSCC(=O)O BB12-3263 [2,0,0,0,0,0|2,0,0]=4 28 B7R0.4 CCSCCC(=O)O BB12-3270 [2,0,0,0,0,0|2,0,0]=4 29 B7R0.5 CCSC(C)C(=O)O BB12-3261 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.5 CNCC(C)C(=O)O BB12-1637 [2,0,0,0,0,0|2,0,0]=4 31 B7R0.6 CC(N)CCN(C)C BB57-2247 [2,0,0,0,0,0|1,0,1]=4 32 B9R0.8 COC(=O)C(N)CCCN BB57-6639 [1,1,0,0,0,0|2,0,0]=4 33 B9R0.56 CC(C)(C)SCCC(=O)O BB54-4513 [1,1,0,0,0,0|2,0,0]=4 34 B9R0.39 CN[C@H](CC(C)C)C(=O)O BB31-2327 [0,1,0,0,1,0|1,0,0]=3 35 B9R1.6 NC(=O)C1CCCCN1 BB57-5817 [1,0,0,1,0,0|2,0,0]=4 36 B9R1.6 O=C(O)C1CCCCO1 BB54-4838 [1,0,0,1,0,0|2,0,0]=4 37 B9R1.6 O=C(O)C1CCNCC1 BB12-3027 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.6 O=C(O)C1CCSCN1 BB54-3501 [1,0,0,1,0,0|0,0,1]=3 39 B9R1.35 CC1=NC(C(=O)O)CC1 BB58-2824 [1,0,0,1,0,0|1,0,1]=4 40 B9R1.35 CN1CCC(C(=O)O)C1 BB55-3489 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O BB12-1877 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.95 COC1CC(C(=O)O)C1 BB58-3428 [1,0,0,1,0,0|1,1,0]=4 43 B9R1.163 CC1(C(=O)O)CCOC1 BB31-0673 [1,0,0,1,0,0|1,1,0]=4 44 B9R1.163 NC1(C(=O)O)CCCC1 BB56-0255 [1,0,0,1,0,0|1,0,0]=3 45 B9R1.10 CC1(C)CCC(N)CO1 BB58-3788 [1,0,0,1,0,0|1,0,1]=4 46 B9R1.85 O=C(O)CSCC1CC1 BB12-3262 [1,0,0,1,0,0|2,0,0]=4 47 B11R1.20 CC1CCC(CC(=O)O)CC1 BB58-4368 [0,0,0,1,0,1|2,0,0]=4 48 B11R1.20 CN1CCC(CC(=O)O)CC1 BB32-3695 [0,0,0,1,0,1|2,0,0]=4 49 B11R1.730 CC1(C)CC(C(=O)O)CCO1 BB58-2169 [0,0,0,1,0,1|2,0,0]=4 50 B11R1.730 CC1(C)CCCC(C(=O)O)O1 BB58-4801 [0,0,0,1,0,1|2,0,0]=4 51 B11R1.730 CC1(C)COCC(C(=O)O)O1 BB58-4749 [0,0,0,1,0,1|2,0,0]=4 52 B11R1.220 CN1CCC(N)(C(=O)O)CC1 BB55-8642 [0,1,0,1,0,0|1,0,0]=3 53 B11R1.220 CN1CCC(O)(C(=O)O)CC1 BB58-1265 [0,1,0,1,0,0|2,0,0]=4 54 B11R1.866 COC(=O)C1CSC(C)(C)N1 BB57-4282 [0,1,0,1,0,0|2,0,0]=4 55 B11R1.3 O=C(O)C1CCC(CO)CC1 BB57-7148 [0,1,0,1,0,0|2,0,0]=4 56 B11R1.727 CC1(C)CCC(C(=O)O)CO1 BB58-3826 [0,1,0,1,0,0|2,0,0]=4 57 B11R1.727 CC1(C)CNC(C(=O)O)CO1 BB31-1163 [0,1,0,1,0,0|2,0,0]=4 58 B7R0.16 CC(C(=O)O)N(C)C BB12-1429 [0,0,0,0,2,0|2,0,0]=4