0 B6R0.3 C(C(=O)C(=O)O)Br ACT09279 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.3 C(C(C(=O)O)N)O ACT07798 [0,0,0,0,0,0|0,1,0]=1 2 B6R0.3 C([C@@H](C(=O)N)N)O ACT05215 [0,0,0,0,0,0|1,1,0]=2 3 B6R0.3 C([C@@H](C(=O)O)N)O ACT08366 [0,0,0,0,0,0|0,1,0]=1 4 B6R0.3 CC(C)[C@@H](CO)N ACT04154 [0,0,0,0,0,0|2,1,1]=4 5 B6R0.3 CC(C)[C@H](CO)N ACT05171 [0,0,0,0,0,0|2,1,1]=4 6 B6R0.3 CC(CN)C(=O)O ACT09241 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.3 CCC(C(=O)C)S ACT06317 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.3 CCC(C(=O)O)Br ACT02003 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.3 CC[C@@H](C(=O)O)N ACT03155 [0,0,0,0,0,0|1,0,0]=1 10 B6R0.3 C[C@@H]([C@H](CO)N)O ACT04169 [0,0,0,0,0,0|1,1,1]=3 11 B6R0.3 C[C@H]([C@@H](CO)N)O ACT04168 [0,0,0,0,0,0|1,1,1]=3 12 B6R0.3 C[C@H]([C@@H](CO)N)O ACT10787 [0,0,0,0,0,0|1,1,1]=3 13 B5R0.1 C(CN)C(=O)N ACT05141 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.1 C(CN)C(=O)O ACT04890 [1,0,0,0,0,0|1,0,0]=2 15 B5R0.1 CC#CC(=O)O ACT02801 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.1 CC(=CCS)C ACT06408 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 CC(C)CCS ACT06430 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CCSC(=O)C ACT06390 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 CNCC(=O)O ACT04970 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.3 C(C(CO)O)N ACT05643 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.3 C([C@H](CCl)O)O ACT05632 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.3 C=C[C@@H](CO)N ACT09263 [1,0,0,0,0,0|1,1,0]=3 23 B5R0.3 CCC(C=C)O ACT06029 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.5 CC(=O)C(=O)C ACT06100 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.5 CC(C(=O)Br)Br ACT03417 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.5 CC(C(=O)C)O ACT06054 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.5 CC(C(=O)C)S ACT06274 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.5 CC(C(=O)O)Br ACT01974 [1,0,0,0,0,0|1,0,0]=2 29 B5R0.5 CC(C(=O)O)N ACT07794 [1,0,0,0,0,0|0,0,0]=1 30 B5R0.5 CC(C(C)S)O ACT06277 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.5 CC(C)C(=O)Cl ACT05625 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.5 C[C@@H](C(=O)N)N ACT03139 [1,0,0,0,0,0|1,0,0]=2 33 B5R0.5 C[C@H](C(=O)N)N ACT10902 [1,0,0,0,0,0|1,0,0]=2 34 B5R0.5 C[C@H](C(=O)O)N ACT07928 [1,0,0,0,0,0|0,0,0]=1 35 B7R0.5 C(CBr)C(C(=O)O)Br ACT09951 [0,1,0,0,0,0|2,0,0]=3 36 B7R0.5 C(CN)C(C(=O)O)O ACT11882 [0,1,0,0,0,0|2,0,0]=3 37 B7R0.5 C(CN)[C@@H](C(=O)O)O ACT02354 [0,1,0,0,0,0|2,0,0]=3 38 B7R0.5 C=CC[C@@H](C(=O)O)N ACT02836 [0,1,0,0,0,0|1,0,0]=2 39 B7R0.10 CCC(C(=O)OC)Br ACT02122 [0,1,0,0,0,0|2,0,0]=3 40 B7R0.10 CC[C@H](C(=O)OC)N ACT10443 [0,1,0,0,0,0|1,0,0]=2 41 B7R0.10 COC(=O)C(=C)CO ACT03973 [0,1,0,0,0,0|1,1,1]=4 42 B7R0.10 COC(=O)C(CO)N ACT08359 [0,1,0,0,0,0|0,1,0]=2 43 B7R0.10 COC(=O)[C@@H](CO)N ACT05963 [0,1,0,0,0,0|0,1,0]=2 44 B7R0.10 COC(=O)[C@H](CO)N ACT09183 [0,1,0,0,0,0|0,1,0]=2 45 B7R0.10 COC(=O)[C@H](CS)N ACT07406 [0,1,0,0,0,0|0,0,0]=1 46 B7R0.13 CC(C)(CN)C(=O)N ACT04692 [0,1,0,0,0,0|3,0,0]=4 47 B7R0.13 CCC(C)(C)C(=O)Cl ACT06819 [0,1,0,0,0,0|3,0,0]=4 48 B7R0.13 CCC(C)(C)C(=O)O ACT06818 [0,1,0,0,0,0|2,0,0]=3 49 B7R0.13 CC[C@@](C)(C(=O)O)N ACT09522 [0,1,0,0,0,0|1,0,0]=2 50 B7R0.15 CNC(CS)C(=O)O ACT09439 [0,1,0,0,0,0|0,0,0]=1 51 B7R0.16 CC(C)[C@H](C(=O)N)N ACT03147 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.16 CC(C)[C@H](C(=O)O)N ACT04818 [0,1,0,0,0,0|1,0,0]=2 53 B7R1.4 C1C(C(=O)NO1)N ACT10891 [0,0,0,1,0,0|1,1,0]=3 54 B7R1.4 C1CNC(=O)C1N ACT09401 [0,0,0,1,0,0|2,0,0]=3 55 B7R1.4 C1[C@@H](C(=O)NO1)N ACT10801 [0,0,0,1,0,0|1,1,0]=3 56 B7R1.4 C1[C@H](C(=O)NO1)N ACT04767 [0,0,0,1,0,0|1,1,0]=3 57 B7R1.18 C1CN[C@@H]1C(=O)O ACT01799 [0,0,0,1,0,0|1,0,0]=2 58 B7R0.2 C([C@H](CN)O)C(=O)O ACT10094 [0,0,0,0,0,1|2,0,0]=3 59 B7R0.2 CC[C@H](C)CC(=O)O ACT09115 [0,0,0,0,0,1|2,0,0]=3 60 B4R0.1 C(=O)C(=O)O ACT06826 [2,0,0,0,0,0|0,1,1]=4 61 B4R0.1 C(C(=N)N)N ACT10088 [2,0,0,0,0,0|2,0,0]=4 62 B4R0.1 C(C(=O)Br)Br ACT03212 [2,0,0,0,0,0|2,0,0]=4 63 B4R0.1 C(C(=O)O)Br ACT01771 [2,0,0,0,0,0|1,0,0]=3 64 B4R0.1 CC(=O)CCl ACT09266 [2,0,0,0,0,0|2,0,0]=4 65 B4R0.1 CC(=O)SC ACT06385 [2,0,0,0,0,0|2,0,0]=4 66 B4R0.1 CC(C)CS ACT06243 [2,0,0,0,0,0|1,0,1]=4 67 B4R0.1 C[C@@H](CN)N ACT04807 [2,0,0,0,0,0|1,0,1]=4 68 B4R0.1 C[C@H](CN)N ACT06789 [2,0,0,0,0,0|1,0,1]=4 69 B4R0.2 C=CCCBr ACT03064 [2,0,0,0,0,0|2,0,0]=4 70 B4R0.2 CCCCS ACT06241 [2,0,0,0,0,0|1,0,1]=4 71 B6R0.1 CCCC(=O)SC ACT06405 [1,1,0,0,0,0|1,1,0]=4 72 B6R0.1 CNCC(=O)OC ACT07185 [1,1,0,0,0,0|2,0,0]=4 73 B6R0.1 COC(=O)CCN ACT07866 [1,1,0,0,0,0|1,0,0]=3 74 B6R0.2 C[C@@H](CC(=O)O)N ACT02393 [1,1,0,0,0,0|1,0,0]=3 75 B6R0.2 C[C@@H](CC(=O)O)N ACT09644 [1,1,0,0,0,0|1,0,0]=3 76 B6R0.2 C[C@H](CC(=O)O)N ACT05190 [1,1,0,0,0,0|1,0,0]=3 77 B6R0.4 C(CC(=O)O)CN ACT11886 [1,1,0,0,0,0|1,0,0]=3 78 B6R0.4 C(\C=C\C(=O)O)Cl ACT11965 [1,1,0,0,0,0|1,0,1]=4 79 B6R0.4 CC(=O)CCCO ACT07203 [1,1,0,0,0,0|1,1,0]=4 80 B6R0.4 CC(=O)NCCCl ACT10150 [1,1,0,0,0,0|2,0,0]=4 81 B6R0.4 CCCSC(=O)C ACT06394 [1,1,0,0,0,0|2,0,0]=4 82 B6R0.5 C(CS(=O)(=O)O)N ACT04713 [1,1,0,0,0,0|2,0,0]=4 83 B6R0.7 CC(=O)C(C)(C)O ACT02809 [1,1,0,0,0,0|2,0,0]=4 84 B6R0.7 CC(C)(C)C(=O)N ACT11908 [1,1,0,0,0,0|2,0,0]=4 85 B8R0.23 C([C@H](C(=O)O)N)C(=O)O ACT03145 [0,1,0,0,0,1|0,1,1]=4 86 B8R0.23 CC(C)[C@H](CC(=O)O)N ACT09686 [0,1,0,0,0,1|1,0,0]=3 87 B8R0.3 CCC(C(=O)OCC)Br ACT02390 [0,2,0,0,0,0|2,0,0]=4 88 B8R0.3 CCOC(=O)[C@H](CO)N ACT07709 [0,2,0,0,0,0|0,1,0]=3 89 B8R0.3 CCOC(=O)[C@H](CS)N ACT08955 [0,2,0,0,0,0|0,0,0]=2 90 B8R0.8 CCCCC(C(=O)O)Br ACT02064 [0,2,0,0,0,0|2,0,0]=4 91 B8R0.13 CC[C@@](C)(C(=O)OC)N ACT10604 [0,2,0,0,0,0|1,0,0]=3 92 B8R0.36 CCC(C)(CC)C(=O)O ACT06838 [0,2,0,0,0,0|2,0,0]=4 93 B8R0.27 CC(C)(C)C(C(=O)O)N ACT05266 [0,2,0,0,0,0|1,0,0]=3 94 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N ACT00048 [0,2,0,0,0,0|1,0,0]=3 95 B8R0.27 CC(C)(C)[C@H](C(=O)O)N ACT09426 [0,2,0,0,0,0|1,0,0]=3 96 B8R1.18 C1[C@H](C(=O)OC1=O)N ACT04893 [0,0,0,1,0,1|0,1,1]=4 97 B8R1.5 C1C[C@@H](C(=O)NC1)N ACT09712 [0,1,0,1,0,0|2,0,0]=4 98 B8R1.7 C1C=C[C@H](N1)C(=O)O ACT02240 [0,1,0,1,0,0|1,0,1]=4 99 B8R1.7 C1COC[C@H]1C(=O)O ACT09087 [0,1,0,1,0,0|1,1,0]=4 100 B8R1.7 C1C[C@@H](NC1)C(=O)N ACT05031 [0,1,0,1,0,0|2,0,0]=4 101 B8R1.7 C1C[C@@H](NC1)C(=O)O ACT05623 [0,1,0,1,0,0|1,0,0]=3 102 B8R1.7 C1C[C@H](NC1)C(=O)N ACT05030 [0,1,0,1,0,0|2,0,0]=4 103 B8R1.23 C1C(CC1=O)C(=O)O ACT02726 [0,1,0,1,0,0|1,1,0]=4 104 B8R1.78 C1CC(C1)(C(=O)O)N ACT10736 [0,1,0,1,0,0|1,0,0]=3