0 B5R0.3 C(C(CO)O)N ACT05643 [0,0,0,0,0,0|2,1,0]=3 1 B5R0.3 C([C@@H](CCl)O)N ACT03555 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.3 C([C@H](CCl)O)O ACT05632 [0,0,0,0,0,0|2,1,0]=3 3 B5R0.3 C=C[C@@H](CO)N ACT09263 [0,0,0,0,0,0|1,1,2]=4 4 B5R0.3 CC(CCl)CBr ACT04986 [0,0,0,0,0,0|2,0,0]=2 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 B5R0.3 COC(=O)CBr ACT01939 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.3 COC(=O)CN ACT08376 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.1 CC(=C)CBr ACT08856 [1,0,0,0,0,0|1,0,2]=4 10 B4R0.1 CC(=N)OC ACT09196 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.1 CC(=O)CCl ACT09266 [1,0,0,0,0,0|1,1,1]=4 12 B4R0.1 CC(=O)SC ACT06385 [1,0,0,0,0,0|1,1,1]=4 13 B4R0.1 CC(C#C)O ACT09213 [1,0,0,0,0,0|0,1,2]=4 14 B4R0.1 CC(C)CS ACT06243 [1,0,0,0,0,0|0,0,0]=1 15 B4R0.1 CC=C(C)Br ACT12017 [1,0,0,0,0,0|1,0,2]=4 16 B4R0.1 C[C@@H](CN)N ACT04807 [1,0,0,0,0,0|2,0,0]=3 17 B4R0.1 C[C@H](CN)N ACT06789 [1,0,0,0,0,0|2,0,0]=3 18 B4R0.2 C#CCCO ACT08938 [1,0,0,0,0,0|0,1,2]=4 19 B4R0.2 C(CCl)CBr ACT04979 [1,0,0,0,0,0|2,0,0]=3 20 B4R0.2 C=CCCBr ACT03064 [1,0,0,0,0,0|1,0,2]=4 21 B4R0.2 CC#CCBr ACT08918 [1,0,0,0,0,0|1,0,2]=4 22 B4R0.2 CC#CCO ACT02835 [1,0,0,0,0,0|0,1,2]=4 23 B4R0.2 CCCCS ACT06241 [1,0,0,0,0,0|0,0,0]=1 24 B4R0.2 CCCSC ACT06183 [1,0,0,0,0,0|2,0,0]=3 25 B4R0.2 CCOC#C ACT10610 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.2 CCSCC ACT06138 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.2 CNCC=C ACT04698 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.2 CSCC=C ACT06184 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.2 CSCCO ACT06338 [1,0,0,0,0,0|1,1,0]=3 30 B6R0.1 CCCC(C#C)O ACT07175 [0,1,0,0,0,0|2,0,1]=4 31 B6R0.1 CCCC(C=C)O ACT06034 [0,1,0,0,0,0|2,0,1]=4 32 B6R0.1 CCOC(=O)CBr ACT01957 [0,1,0,0,0,0|2,0,1]=4 33 B6R0.1 CCOC(=O)CN ACT03311 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.1 CC\C=C(/C)\C=O ACT06055 [0,1,0,0,0,0|0,1,2]=4 35 B6R0.1 CNCC(CO)O ACT08072 [0,1,0,0,0,0|1,1,0]=3 36 B6R0.3 CC(C)[C@@H](CO)N ACT04154 [0,1,0,0,0,0|1,1,0]=3 37 B6R0.3 CC(C)[C@H](CO)N ACT05171 [0,1,0,0,0,0|1,1,0]=3 38 B6R0.3 CC(CN)C(=O)O ACT09241 [0,1,0,0,0,0|1,1,1]=4 39 B6R0.3 CCC(C(=O)C)S ACT06317 [0,1,0,0,0,0|1,1,1]=4 40 B6R0.3 CCC(C(=O)O)Br ACT02003 [0,1,0,0,0,0|1,1,1]=4 41 B6R0.3 CC[C@@H](C(=O)O)N ACT03155 [0,1,0,0,0,0|1,1,1]=4 42 B6R0.3 C[C@@H]([C@H](CO)N)O ACT04169 [0,1,0,0,0,0|1,1,0]=3 43 B6R0.3 C[C@H]([C@@H](CO)N)O ACT04168 [0,1,0,0,0,0|1,1,0]=3 44 B6R0.3 C[C@H]([C@@H](CO)N)O ACT10787 [0,1,0,0,0,0|1,1,0]=3 45 B6R0.9 CCN(CC)CC ACT11946 [0,1,0,0,0,0|2,0,0]=3 46 B6R0.9 CCP(CC)CC ACT04048 [0,1,0,0,0,0|2,0,0]=3 47 B6R0.9 CC[SiH](CC)CC ACT03434 [0,1,0,0,0,0|1,1,0]=3 48 B6R1.2 C1C=CCC1N ACT10576 [0,0,0,1,0,0|2,0,1]=4 49 B6R1.2 C1CNC[C@@H]1N ACT06688 [0,0,0,1,0,0|2,0,0]=3 50 B6R1.2 C1CNC[C@@H]1O ACT01716 [0,0,0,1,0,0|2,0,0]=3 51 B6R1.2 C1CNC[C@H]1N ACT04905 [0,0,0,1,0,0|2,0,0]=3 52 B6R1.2 C1CNC[C@H]1O ACT00442 [0,0,0,1,0,0|2,0,0]=3 53 B6R1.2 C1COC[C@@H]1O ACT10453 [0,0,0,1,0,0|1,1,0]=3 54 B6R1.2 C1COC[C@H]1N ACT06806 [0,0,0,1,0,0|1,1,0]=3 55 B6R1.2 C1COC[C@H]1O ACT05256 [0,0,0,1,0,0|1,1,0]=3 56 B6R1.2 C[C@@H]1CCNC1 ACT09361 [0,0,0,1,0,0|1,0,0]=2 57 B6R1.2 C[C@H]1CCCN1 ACT06587 [0,0,0,1,0,0|2,0,0]=3 58 B6R1.2 C[C@H]1CCNC1 ACT11957 [0,0,0,1,0,0|1,0,0]=2 59 B6R1.6 C1C(CN1)C#N ACT04900 [0,0,0,1,0,0|2,0,1]=4 60 B6R1.6 C1CC(C1)CBr ACT03403 [0,0,0,1,0,0|1,0,0]=2 61 B6R1.6 C1CC(C1)CO ACT03329 [0,0,0,1,0,0|0,1,0]=2 62 B3R0.1 C(CCl)O ACT07200 [2,0,0,0,0,0|1,1,0]=4 63 B3R0.1 C(CF)O ACT09629 [2,0,0,0,0,0|1,1,0]=4 64 B3R0.1 C=CCS ACT06237 [2,0,0,0,0,0|0,0,2]=4 65 B3R0.1 CCCS ACT06229 [2,0,0,0,0,0|0,0,0]=2 66 B3R0.1 CCSC ACT06182 [2,0,0,0,0,0|1,0,0]=3 67 B3R0.1 CSSC ACT06113 [2,0,0,0,0,0|2,0,0]=4 68 B3R0.2 CC(C)S ACT06230 [2,0,0,0,0,0|0,0,0]=2 69 B3R0.2 CC(C)[CH2-] ACT07636 [2,0,0,0,0,0|0,0,1]=3 70 B3R0.2 CP(C)C ACT08935 [2,0,0,0,0,0|1,0,0]=3 71 B5R0.1 CC(=CCS)C ACT06408 [1,1,0,0,0,0|0,0,1]=3 72 B5R0.1 CC(C)CCS ACT06430 [1,1,0,0,0,0|0,0,0]=2 73 B5R0.1 CCSC(=O)C ACT06390 [1,1,0,0,0,0|0,1,1]=4 74 B5R0.4 CC(C)(C#C)O ACT07439 [1,1,0,0,0,0|0,0,2]=4 75 B5R0.4 CC(C)(C)C#C ACT05303 [1,1,0,0,0,0|0,0,2]=4 76 B5R0.4 CC(C)(C)CBr ACT09941 [1,1,0,0,0,0|1,0,0]=3 77 B5R0.4 CC(C)(C)CO ACT08906 [1,1,0,0,0,0|0,1,0]=3 78 B5R0.4 CC(CO)(F)F ACT02888 [1,1,0,0,0,0|1,1,0]=4 79 B5R0.4 C[Si](C)(C)CBr ACT09165 [1,1,0,0,0,0|1,1,0]=4 80 B5R0.4 C[Si](C)(C)CCl ACT08903 [1,1,0,0,0,0|1,1,0]=4 81 B5R0.4 C[Si](C)(C)CI ACT09709 [1,1,0,0,0,0|1,1,0]=4 82 B5R0.4 C[Si](C)(C)CN ACT09163 [1,1,0,0,0,0|1,1,0]=4 83 B5R0.4 C[Si](C)(C)CO ACT09537 [1,1,0,0,0,0|0,2,0]=4 84 B5R0.5 CC(C(=O)C)O ACT06054 [1,1,0,0,0,0|0,1,1]=4 85 B5R0.5 CC(C(=O)C)S ACT06274 [1,1,0,0,0,0|0,0,1]=3 86 B5R0.5 CC(C(C)S)O ACT06277 [1,1,0,0,0,0|0,0,0]=2 87 B5R0.5 CC(C)C(=O)Cl ACT05625 [1,1,0,0,0,0|0,1,1]=4 88 B5R0.2 C#CCCCCl ACT08610 [1,1,0,0,0,0|1,0,1]=4 89 B5R0.2 C#CCCCO ACT09819 [1,1,0,0,0,0|0,1,1]=4 90 B5R0.2 C(CCO)CN ACT08231 [1,1,0,0,0,0|0,1,0]=3 91 B5R0.2 C=CCCCBr ACT10075 [1,1,0,0,0,0|1,0,1]=4 92 B5R0.2 C=CCCCO ACT03061 [1,1,0,0,0,0|0,1,1]=4 93 B5R0.2 CCCCC#C ACT10051 [1,1,0,0,0,0|1,0,0]=3 94 B5R0.2 CCCSSC ACT06210 [1,1,0,0,0,0|1,0,0]=3 95 B5R0.2 CCSSCC ACT06136 [1,1,0,0,0,0|2,0,0]=4 96 B5R0.2 CNCCNC ACT07313 [1,1,0,0,0,0|2,0,0]=4 97 B5R0.2 CSCCCO ACT06341 [1,1,0,0,0,0|0,1,0]=3 98 B7R0.2 CC(C)C[C@@H](CO)N ACT04160 [0,2,0,0,0,0|1,1,0]=4 99 B7R0.2 CC(C)C[C@H](CO)N ACT04161 [0,2,0,0,0,0|1,1,0]=4 100 B7R0.2 CC[C@H](C)CC(=O)O ACT09115 [0,2,0,0,0,0|0,1,0]=3 101 B7R0.3 CSCC[C@@H](CO)N ACT04170 [0,2,0,0,0,0|1,1,0]=4 102 B7R0.3 CSCC[C@H](CO)N ACT03140 [0,2,0,0,0,0|1,1,0]=4 103 B7R0.7 CCCC(C)CC=S ACT06342 [0,2,0,0,0,0|0,0,1]=3 104 B7R0.10 CC[C@H](C)[C@@H](CO)N ACT04158 [0,2,0,0,0,0|0,1,0]=3 105 B7R0.10 COC(=O)[C@H](CS)N ACT07406 [0,2,0,0,0,0|1,0,1]=4 106 B7R0.13 CCC(C)(C)C(=O)Cl ACT06819 [0,2,0,0,0,0|0,1,1]=4 107 B7R0.13 CCC(C)(C)C(=O)O ACT06818 [0,2,0,0,0,0|0,1,1]=4 108 B7R0.13 CC[C@@](C)(C(=O)O)N ACT09522 [0,2,0,0,0,0|0,1,1]=4 109 B7R0.14 CC(C)(C)[C@@H](CO)N ACT07359 [0,2,0,0,0,0|1,1,0]=4 110 B7R0.14 CC(C)(C)[C@H](CO)N ACT07355 [0,2,0,0,0,0|1,1,0]=4 111 B7R0.15 CNC(CS)C(=O)O ACT09439 [0,2,0,0,0,0|1,0,1]=4 112 B7R0.18 CC[Si](CC)(CC)Cl ACT10744 [0,2,0,0,0,0|1,1,0]=4 113 B5R1.2 C1C(CN1)O ACT02769 [1,0,0,1,0,0|1,1,0]=4 114 B5R1.3 C1CC1CBr ACT02757 [1,0,0,1,0,0|1,0,0]=3 115 B5R1.1 C1CCCC1 ACT08097 [1,0,0,1,0,0|1,0,0]=3 116 B5R1.1 C1CCOC1 ACT09264 [1,0,0,1,0,0|0,1,0]=3 117 B7R1.1 C1CC(NC1)CO ACT09769 [0,1,0,1,0,0|0,1,0]=3 118 B7R1.1 C1CNC[C@@H]1CO ACT07264 [0,1,0,1,0,0|0,1,0]=3 119 B7R1.1 C1COCC1CO ACT09047 [0,1,0,1,0,0|0,1,0]=3 120 B7R1.1 C1C[C@@H](NC1)C#N ACT10038 [0,1,0,1,0,0|1,0,1]=4 121 B7R1.1 C1C[C@@H](NC1)CO ACT04141 [0,1,0,1,0,0|0,1,0]=3 122 B7R1.1 C1C[C@H](NC1)CO ACT04140 [0,1,0,1,0,0|0,1,0]=3 123 B7R1.2 CN1CCC(C1)O ACT03466 [0,1,0,1,0,0|1,1,0]=4 124 B7R1.2 CN1CC[C@@H](C1)N ACT10431 [0,1,0,1,0,0|2,0,0]=4 125 B7R1.2 CN1CC[C@@H](C1)O ACT05086 [0,1,0,1,0,0|1,1,0]=4 126 B7R1.2 CN1CC[C@H](C1)O ACT05087 [0,1,0,1,0,0|1,1,0]=4 127 B7R1.3 C1CC(CNC1)O ACT02059 [0,1,0,1,0,0|2,0,0]=4 128 B7R1.3 C1CC(COC1)O ACT09202 [0,1,0,1,0,0|1,1,0]=4 129 B7R1.3 C1CNCCC1Br ACT08302 [0,1,0,1,0,0|2,0,0]=4 130 B7R1.3 C1CNCCC1N ACT05214 [0,1,0,1,0,0|2,0,0]=4 131 B7R1.3 C1CNCCC1N ACT09600 [0,1,0,1,0,0|2,0,0]=4 132 B7R1.3 C1CNCCC1O ACT02058 [0,1,0,1,0,0|2,0,0]=4 133 B7R1.3 C1COCCC1O ACT01892 [0,1,0,1,0,0|1,1,0]=4 134 B7R1.3 C1C[C@@H](CNC1)O ACT02045 [0,1,0,1,0,0|2,0,0]=4 135 B7R1.3 C1C[C@H](CNC1)N ACT04891 [0,1,0,1,0,0|2,0,0]=4 136 B7R1.3 C1C[C@H](CNC1)O ACT02079 [0,1,0,1,0,0|2,0,0]=4 137 B7R1.3 C[C@@H]1CCCCN1 ACT09105 [0,1,0,1,0,0|1,0,0]=3 138 B7R1.3 C[C@@H]1CNCCN1 ACT11136 [0,1,0,1,0,0|1,0,0]=3 139 B7R1.3 C[C@H]1CCCCN1 ACT09533 [0,1,0,1,0,0|1,0,0]=3 140 B7R1.4 CC1C(=O)CCO1 ACT06568 [0,1,0,1,0,0|0,1,1]=4 141 B7R1.4 CC1C(=O)CCS1 ACT06593 [0,1,0,1,0,0|0,1,1]=4 142 B7R1.25 CC1(COC1)CO ACT04865 [0,1,0,1,0,0|0,1,0]=3 143 B7R1.14 CC1(CCCC1)O ACT11548 [0,1,0,1,0,0|1,0,0]=3 144 B7R1.29 C1CC1(CO)CO ACT05287 [0,1,0,1,0,0|0,1,0]=3