0 B5R0.3 C(C(CO)O)N ACT05643 [0,0,0,0,0,0|1,0,0]=1 1 B5R0.3 C([C@@H](CCl)O)N ACT03555 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.3 C([C@H](CCl)O)O ACT05632 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.3 C=C[C@@H](CO)N ACT09263 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.3 CC(CCl)CBr ACT04986 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.3 CCC(C#C)O ACT09706 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.3 CCC(C=C)O ACT06029 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.1 C(C(=O)O)Br ACT01771 [1,0,0,0,0,0|1,0,2]=4 8 B4R0.1 CC(=C)CBr ACT08856 [1,0,0,0,0,0|2,0,1]=4 9 B4R0.1 CC(=O)CCl ACT09266 [1,0,0,0,0,0|1,0,2]=4 10 B4R0.1 CC(C#C)O ACT09213 [1,0,0,0,0,0|1,0,1]=3 11 B4R0.1 CC(C)CS ACT06243 [1,0,0,0,0,0|1,1,0]=3 12 B4R0.1 C[C@@H](CN)N ACT04807 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.1 C[C@H](CN)N ACT06789 [1,0,0,0,0,0|2,0,0]=3 14 B4R0.2 C#CCCO ACT08938 [1,0,0,0,0,0|1,0,1]=3 15 B4R0.2 C(CCl)CBr ACT04979 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.2 C=CCCBr ACT03064 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.2 CC#CCO ACT02835 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.2 CCCCS ACT06241 [1,0,0,0,0,0|1,1,0]=3 19 B4R0.2 CCCSC ACT06183 [1,0,0,0,0,0|3,0,0]=4 20 B4R0.2 CCSCC ACT06138 [1,0,0,0,0,0|3,0,0]=4 21 B4R0.2 CSCCO ACT06338 [1,0,0,0,0,0|2,0,0]=3 22 B6R0.1 CCCC(C#C)O ACT07175 [0,1,0,0,0,0|2,0,1]=4 23 B6R0.1 CCCC(C=C)O ACT06034 [0,1,0,0,0,0|2,0,1]=4 24 B6R0.1 CNCC(CO)O ACT08072 [0,1,0,0,0,0|1,0,0]=2 25 B6R0.3 C(C(C(=O)O)N)O ACT07798 [0,1,0,0,0,0|1,0,1]=3 26 B6R0.3 C([C@@H](C(=O)N)N)O ACT05215 [0,1,0,0,0,0|1,0,2]=4 27 B6R0.3 C([C@@H](C(=O)O)N)O ACT08366 [0,1,0,0,0,0|1,0,1]=3 28 B6R0.3 CC(C)[C@@H](CO)N ACT04154 [0,1,0,0,0,0|2,0,0]=3 29 B6R0.3 CC(C)[C@H](CO)N ACT05171 [0,1,0,0,0,0|2,0,0]=3 30 B6R0.3 CC(CN)C(=O)O ACT09241 [0,1,0,0,0,0|2,0,1]=4 31 B6R0.3 CCC(C(=O)O)Br ACT02003 [0,1,0,0,0,0|2,0,1]=4 32 B6R0.3 CC[C@@H](C(=O)O)N ACT03155 [0,1,0,0,0,0|2,0,1]=4 33 B6R0.3 C[C@@H]([C@H](CO)N)O ACT04169 [0,1,0,0,0,0|1,0,0]=2 34 B6R0.3 C[C@H]([C@@H](CO)N)O ACT04168 [0,1,0,0,0,0|1,0,0]=2 35 B6R0.3 C[C@H]([C@@H](CO)N)O ACT10787 [0,1,0,0,0,0|1,0,0]=2 36 B6R1.2 C1C=CCC1N ACT10576 [0,0,0,1,0,0|3,0,0]=4 37 B6R1.2 C1CNC[C@@H]1N ACT06688 [0,0,0,1,0,0|3,0,0]=4 38 B6R1.2 C1CNC[C@@H]1O ACT01716 [0,0,0,1,0,0|2,0,0]=3 39 B6R1.2 C1CNC[C@H]1N ACT04905 [0,0,0,1,0,0|3,0,0]=4 40 B6R1.2 C1CNC[C@H]1O ACT00442 [0,0,0,1,0,0|2,0,0]=3 41 B6R1.2 C1COC[C@@H]1O ACT10453 [0,0,0,1,0,0|1,0,0]=2 42 B6R1.2 C1COC[C@H]1N ACT06806 [0,0,0,1,0,0|2,0,0]=3 43 B6R1.2 C1COC[C@H]1O ACT05256 [0,0,0,1,0,0|1,0,0]=2 44 B6R1.2 C[C@@H]1CCNC1 ACT09361 [0,0,0,1,0,0|3,0,0]=4 45 B6R1.2 C[C@H]1CCNC1 ACT11957 [0,0,0,1,0,0|3,0,0]=4 46 B6R1.6 C1CC(C1)CBr ACT03403 [0,0,0,1,0,0|3,0,0]=4 47 B6R1.6 C1CC(C1)CO ACT03329 [0,0,0,1,0,0|2,0,0]=3 48 B3R0.1 C(CCl)O ACT07200 [2,0,0,0,0,0|1,0,0]=3 49 B3R0.1 C(CF)O ACT09629 [2,0,0,0,0,0|1,0,0]=3 50 B3R0.1 CCCS ACT06229 [2,0,0,0,0,0|0,1,0]=3 51 B3R0.1 CCSC ACT06182 [2,0,0,0,0,0|2,0,0]=4 52 B3R0.2 CC(C)S ACT06230 [2,0,0,0,0,0|0,1,0]=3 53 B3R0.2 CC(C)[CH2-] ACT07636 [2,0,0,0,0,0|1,0,0]=3 54 B3R0.2 CP(C)C ACT08935 [2,0,0,0,0,0|2,0,0]=4 55 B5R0.1 CC(C)CCS ACT06430 [1,1,0,0,0,0|1,1,0]=4 56 B5R0.4 C(C(F)(F)F)O ACT10236 [1,1,0,0,0,0|2,0,0]=4 57 B5R0.4 CC(C)(C#C)O ACT07439 [1,1,0,0,0,0|1,0,1]=4 58 B5R0.4 CC(C)(C)CBr ACT09941 [1,1,0,0,0,0|2,0,0]=4 59 B5R0.4 CC(C)(C)CO ACT08906 [1,1,0,0,0,0|1,0,0]=3 60 B5R0.4 CC(CO)(F)F ACT02888 [1,1,0,0,0,0|1,0,0]=3 61 B5R0.4 C[Si](C)(C)CO ACT09537 [1,1,0,0,0,0|1,1,0]=4 62 B5R0.5 CC(C(=O)C)O ACT06054 [1,1,0,0,0,0|0,0,2]=4 63 B5R0.5 CC(C(=O)O)Br ACT01974 [1,1,0,0,0,0|1,0,1]=4 64 B5R0.5 CC(C(=O)O)N ACT07794 [1,1,0,0,0,0|1,0,1]=4 65 B5R0.5 CC(C(C)S)O ACT06277 [1,1,0,0,0,0|0,1,0]=3 66 B5R0.5 C[C@H](C(=O)O)N ACT07928 [1,1,0,0,0,0|1,0,1]=4 67 B5R0.2 C#CCCCCl ACT08610 [1,1,0,0,0,0|2,0,0]=4 68 B5R0.2 C#CCCCO ACT09819 [1,1,0,0,0,0|1,0,0]=3 69 B5R0.2 C(CCO)CN ACT08231 [1,1,0,0,0,0|1,0,0]=3 70 B5R0.2 C(\C=C\CCl)O ACT12012 [1,1,0,0,0,0|1,0,1]=4 71 B5R0.2 C=CCCCBr ACT10075 [1,1,0,0,0,0|2,0,0]=4 72 B5R0.2 C=CCCCO ACT03061 [1,1,0,0,0,0|1,0,0]=3 73 B5R0.2 CCCCC#C ACT10051 [1,1,0,0,0,0|2,0,0]=4 74 B5R0.2 CSCCCO ACT06341 [1,1,0,0,0,0|0,1,0]=3 75 B7R0.2 C([C@H](CN)O)C(=O)O ACT10094 [0,2,0,0,0,0|1,0,0]=3 76 B7R0.2 CC(C)C[C@@H](CO)N ACT04160 [0,2,0,0,0,0|2,0,0]=4 77 B7R0.2 CC(C)C[C@H](CO)N ACT04161 [0,2,0,0,0,0|2,0,0]=4 78 B7R0.2 CC[C@H](C)CC(=O)O ACT09115 [0,2,0,0,0,0|2,0,0]=4 79 B7R0.3 CSCC[C@@H](CO)N ACT04170 [0,2,0,0,0,0|1,1,0]=4 80 B7R0.3 CSCC[C@H](CO)N ACT03140 [0,2,0,0,0,0|1,1,0]=4 81 B7R0.5 C(CN)C(C(=O)O)O ACT11882 [0,2,0,0,0,0|1,0,1]=4 82 B7R0.5 C(CN)[C@@H](C(=O)O)O ACT02354 [0,2,0,0,0,0|1,0,1]=4 83 B7R0.10 CC[C@H](C)[C@@H](CO)N ACT04158 [0,2,0,0,0,0|2,0,0]=4 84 B7R0.10 COC(=O)C(CO)N ACT08359 [0,2,0,0,0,0|1,0,1]=4 85 B7R0.10 COC(=O)[C@@H](CO)N ACT05963 [0,2,0,0,0,0|1,0,1]=4 86 B7R0.10 COC(=O)[C@H](CO)N ACT09183 [0,2,0,0,0,0|1,0,1]=4 87 B7R0.14 CC(C)(C)[C@@H](CO)N ACT07359 [0,2,0,0,0,0|2,0,0]=4 88 B7R0.14 CC(C)(C)[C@H](CO)N ACT07355 [0,2,0,0,0,0|2,0,0]=4 89 B5R1.2 C1C(CN1)O ACT02769 [1,0,0,1,0,0|1,0,0]=3 90 B5R1.3 C1CC1CBr ACT02757 [1,0,0,1,0,0|2,0,0]=4 91 B5R1.1 C1CCCC1 ACT08097 [1,0,0,1,0,0|2,0,0]=4 92 B5R1.1 C1CCOC1 ACT09264 [1,0,0,1,0,0|1,0,0]=3 93 B7R1.1 C1CC(NC1)CO ACT09769 [0,1,0,1,0,0|2,0,0]=4 94 B7R1.1 C1CNC[C@@H]1CO ACT07264 [0,1,0,1,0,0|2,0,0]=4 95 B7R1.1 C1COCC1CO ACT09047 [0,1,0,1,0,0|1,0,0]=3 96 B7R1.1 C1C[C@@H](NC1)CO ACT04141 [0,1,0,1,0,0|2,0,0]=4 97 B7R1.1 C1C[C@H](NC1)CO ACT04140 [0,1,0,1,0,0|2,0,0]=4 98 B7R1.2 C1[C@@H](CNC1=O)O ACT01696 [0,1,0,1,0,0|1,0,1]=4 99 B7R1.2 CN1CCC(C1)O ACT03466 [0,1,0,1,0,0|2,0,0]=4 100 B7R1.2 CN1CC[C@@H](C1)O ACT05086 [0,1,0,1,0,0|2,0,0]=4 101 B7R1.2 CN1CC[C@H](C1)O ACT05087 [0,1,0,1,0,0|2,0,0]=4 102 B7R1.3 C1CC(CNC1)O ACT02059 [0,1,0,1,0,0|2,0,0]=4 103 B7R1.3 C1CC(COC1)O ACT09202 [0,1,0,1,0,0|1,0,0]=3 104 B7R1.3 C1CNCCC1O ACT02058 [0,1,0,1,0,0|2,0,0]=4 105 B7R1.3 C1COCCC1O ACT01892 [0,1,0,1,0,0|1,0,0]=3 106 B7R1.3 C1C[C@@H](CNC1)O ACT02045 [0,1,0,1,0,0|2,0,0]=4 107 B7R1.3 C1C[C@H](CNC1)O ACT02079 [0,1,0,1,0,0|2,0,0]=4 108 B7R1.25 CC1(COC1)CO ACT04865 [0,1,0,1,0,0|1,0,0]=3 109 B7R1.14 CC1(CCCC1)O ACT11548 [0,1,0,1,0,0|2,0,0]=4 110 B7R1.29 C1CC1(CO)CO ACT05287 [0,1,0,1,0,0|1,0,0]=3