0 B4R0.1 C(=O)C(=O)O ACT06826 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 CC(=C)CBr ACT08856 [0,0,0,0,0,0|1,0,3]=4 2 B4R0.1 CC(=N)OC ACT09196 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.1 CC(=O)C#C ACT08607 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.1 CC(=O)CCl ACT09266 [0,0,0,0,0,0|2,0,2]=4 5 B4R0.1 CC(=O)SC ACT06385 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.1 CC(C#C)O ACT09213 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.1 CC(C)CS ACT06243 [0,0,0,0,0,0|0,1,1]=2 8 B4R0.1 CC=C(C)Br ACT12017 [0,0,0,0,0,0|2,0,1]=3 9 B4R0.1 C[C@@H](CN)N ACT04807 [0,0,0,0,0,0|2,0,1]=3 10 B4R0.1 C[C@H](CN)N ACT06789 [0,0,0,0,0,0|2,0,1]=3 11 B3R0.1 C#CCBr ACT00929 [1,0,0,0,0,0|2,0,1]=4 12 B3R0.1 C#CCN ACT03245 [1,0,0,0,0,0|2,0,1]=4 13 B3R0.1 C(CCl)O ACT07200 [1,0,0,0,0,0|1,0,2]=4 14 B3R0.1 C(CF)O ACT09629 [1,0,0,0,0,0|1,0,2]=4 15 B3R0.1 C=CCS ACT06237 [1,0,0,0,0,0|2,0,0]=3 16 B3R0.1 CCCS ACT06229 [1,0,0,0,0,0|0,1,1]=3 17 B3R0.1 CCSC ACT06182 [1,0,0,0,0,0|2,0,0]=3 18 B3R0.1 CSSC ACT06113 [1,0,0,0,0,0|3,0,0]=4 19 B3R0.2 CC(=O)Br ACT03135 [1,0,0,0,0,0|1,0,1]=3 20 B3R0.2 CC(=O)[S-] ACT05622 [1,0,0,0,0,0|1,0,1]=3 21 B3R0.2 CC(C)S ACT06230 [1,0,0,0,0,0|0,1,0]=2 22 B3R0.2 CC(C)[CH2-] ACT07636 [1,0,0,0,0,0|0,0,1]=2 23 B3R0.2 CP(C)C ACT08935 [1,0,0,0,0,0|1,0,1]=3 24 B5R0.1 CC(=CC#N)N ACT07325 [0,1,0,0,0,0|2,0,1]=4 25 B5R0.1 CC(=CCS)C ACT06408 [0,1,0,0,0,0|0,1,1]=3 26 B5R0.1 CC(C)CCS ACT06430 [0,1,0,0,0,0|0,1,1]=3 27 B5R0.3 C(C(CO)O)N ACT05643 [0,1,0,0,0,0|1,0,2]=4 28 B5R0.3 C([C@@H](CCl)O)N ACT03555 [0,1,0,0,0,0|2,0,1]=4 29 B5R0.3 C([C@H](CCl)O)O ACT05632 [0,1,0,0,0,0|1,0,2]=4 30 B5R0.3 C=C[C@@H](CO)N ACT09263 [0,1,0,0,0,0|2,0,0]=3 31 B5R0.3 CC(CCl)CBr ACT04986 [0,1,0,0,0,0|1,0,1]=3 32 B5R0.3 CCC(C#C)O ACT09706 [0,1,0,0,0,0|2,0,1]=4 33 B5R0.3 CCC(C=C)O ACT06029 [0,1,0,0,0,0|2,0,0]=3 34 B5R0.4 CC(C)(C#C)O ACT07439 [0,1,0,0,0,0|1,0,1]=3 35 B5R0.4 CC(C)(C)C#C ACT05303 [0,1,0,0,0,0|1,0,1]=3 36 B5R0.4 CC(C)(C)CBr ACT09941 [0,1,0,0,0,0|1,0,1]=3 37 B5R0.4 CC(C)(C)CO ACT08906 [0,1,0,0,0,0|0,0,2]=3 38 B5R0.4 CC(CO)(F)F ACT02888 [0,1,0,0,0,0|1,0,2]=4 39 B5R0.4 C[Si](C)(C)C#C ACT08896 [0,1,0,0,0,0|1,1,1]=4 40 B5R0.4 C[Si](C)(C)C#N ACT02612 [0,1,0,0,0,0|1,1,1]=4 41 B5R0.4 C[Si](C)(C)C=C ACT10207 [0,1,0,0,0,0|1,1,0]=3 42 B5R0.4 C[Si](C)(C)CBr ACT09165 [0,1,0,0,0,0|1,1,1]=4 43 B5R0.4 C[Si](C)(C)CCl ACT08903 [0,1,0,0,0,0|1,1,1]=4 44 B5R0.4 C[Si](C)(C)CI ACT09709 [0,1,0,0,0,0|1,1,1]=4 45 B5R0.4 C[Si](C)(C)CN ACT09163 [0,1,0,0,0,0|1,1,1]=4 46 B5R0.4 C[Si](C)(C)CO ACT09537 [0,1,0,0,0,0|0,1,2]=4 47 B5R0.5 CC(=O)C(=O)C ACT06100 [0,1,0,0,0,0|1,0,1]=3 48 B5R0.5 CC(C(=O)Br)Br ACT03417 [0,1,0,0,0,0|1,0,0]=2 49 B5R0.5 CC(C(=O)C)O ACT06054 [0,1,0,0,0,0|1,0,0]=2 50 B5R0.5 CC(C(=O)C)S ACT06274 [0,1,0,0,0,0|1,0,0]=2 51 B5R0.5 CC(C(=O)O)Br ACT01974 [0,1,0,0,0,0|1,0,0]=2 52 B5R0.5 CC(C(=O)O)N ACT07794 [0,1,0,0,0,0|1,0,0]=2 53 B5R0.5 CC(C(C)S)O ACT06277 [0,1,0,0,0,0|1,0,2]=4 54 B5R0.5 CC(C)C(=O)Cl ACT05625 [0,1,0,0,0,0|0,0,0]=1 55 B5R0.5 C[C@@H](C(=O)N)N ACT03139 [0,1,0,0,0,0|1,0,0]=2 56 B5R0.5 C[C@H](C(=O)N)N ACT10902 [0,1,0,0,0,0|1,0,0]=2 57 B5R0.5 C[C@H](C(=O)O)N ACT07928 [0,1,0,0,0,0|1,0,0]=2 58 B5R1.2 C1C(CN1)O ACT02769 [0,0,0,1,0,0|2,0,1]=4 59 B5R1.3 C1CC1CBr ACT02757 [0,0,0,1,0,0|1,0,1]=3 60 B2R0.1 CC#N ACT03992 [2,0,0,0,0,0|1,0,1]=4 61 B2R0.1 CCI ACT05467 [2,0,0,0,0,0|1,0,0]=3 62 B2R0.1 CSC ACT08194 [2,0,0,0,0,0|1,0,0]=3 63 B4R0.2 C#CCCO ACT08938 [1,1,0,0,0,0|1,0,1]=4 64 B4R0.2 C(CCl)CBr ACT04979 [1,1,0,0,0,0|1,0,1]=4 65 B4R0.2 C=CCCBr ACT03064 [1,1,0,0,0,0|1,0,0]=3 66 B4R0.2 CCCCS ACT06241 [1,1,0,0,0,0|0,1,1]=4 67 B4R0.2 CCCSC ACT06183 [1,1,0,0,0,0|0,1,1]=4 68 B4R0.2 CCOC#C ACT10610 [1,1,0,0,0,0|1,0,1]=4 69 B4R0.2 CCSCC ACT06138 [1,1,0,0,0,0|1,0,1]=4 70 B4R0.2 CNCC=C ACT04698 [1,1,0,0,0,0|1,0,0]=3 71 B4R0.2 CSCC=C ACT06184 [1,1,0,0,0,0|1,0,0]=3 72 B4R0.2 CSCCO ACT06338 [1,1,0,0,0,0|0,0,2]=4 73 B4R0.3 CC(C)(C)[O-] ACT11948 [1,1,0,0,0,0|0,0,1]=3 74 B4R0.3 C[N+](C)(C)C ACT05642 [1,1,0,0,0,0|1,0,1]=4 75 B4R0.3 C[N+](C)(C)C ACT05647 [1,1,0,0,0,0|1,0,1]=4 76 B4R0.3 C[S+](=O)(C)C ACT04864 [1,1,0,0,0,0|1,0,0]=3 77 B4R0.3 C[S+](=O)(C)C ACT09781 [1,1,0,0,0,0|1,0,0]=3 78 B4R0.3 C[Si](C)(C)[O-] ACT09154 [1,1,0,0,0,0|0,1,1]=4 79 B6R0.1 CCCC(C=C)O ACT06034 [0,2,0,0,0,0|2,0,0]=4 80 B6R0.1 CC\C=C(/C)\C=O ACT06055 [0,2,0,0,0,0|0,0,1]=3 81 B6R0.2 CC(C)NC(C)C ACT04717 [0,2,0,0,0,0|1,0,1]=4 82 B6R0.2 CC(C)SC(C)C ACT06148 [0,2,0,0,0,0|1,0,1]=4 83 B6R0.2 C[C@@H](CC(=O)O)N ACT02393 [0,2,0,0,0,0|1,0,0]=3 84 B6R0.2 C[C@@H](CC(=O)O)N ACT09644 [0,2,0,0,0,0|1,0,0]=3 85 B6R0.2 C[C@H](CC(=O)O)N ACT05190 [0,2,0,0,0,0|1,0,0]=3 86 B6R0.3 C(C(=O)C(=O)O)Br ACT09279 [0,2,0,0,0,0|1,0,1]=4 87 B6R0.3 C(C(C(=O)O)N)O ACT07798 [0,2,0,0,0,0|1,0,0]=3 88 B6R0.3 C([C@@H](C(=O)N)N)O ACT05215 [0,2,0,0,0,0|1,0,0]=3 89 B6R0.3 C([C@@H](C(=O)O)N)O ACT08366 [0,2,0,0,0,0|1,0,0]=3 90 B6R0.3 CC(C)[C@@H](CO)N ACT04154 [0,2,0,0,0,0|0,0,2]=4 91 B6R0.3 CC(C)[C@H](CO)N ACT05171 [0,2,0,0,0,0|0,0,2]=4 92 B6R0.3 CC(CN)C(=O)O ACT09241 [0,2,0,0,0,0|0,0,0]=2 93 B6R0.3 CCC(=O)N(C)C ACT06844 [0,2,0,0,0,0|1,0,0]=3 94 B6R0.3 CCC(C(=O)C)S ACT06317 [0,2,0,0,0,0|1,0,0]=3 95 B6R0.3 CCC(C(=O)O)Br ACT02003 [0,2,0,0,0,0|1,0,0]=3 96 B6R0.3 CC[C@@H](C(=O)O)N ACT03155 [0,2,0,0,0,0|1,0,0]=3 97 B6R0.3 CN(C)C(=O)C=C ACT05674 [0,2,0,0,0,0|1,0,0]=3 98 B6R0.3 CN(C)C(=O)CCl ACT03938 [0,2,0,0,0,0|1,0,0]=3 99 B6R0.3 C[C@@H](C(=O)OC)N ACT02716 [0,2,0,0,0,0|1,0,0]=3 100 B6R0.3 C[C@@H](C(=O)OC)N ACT07687 [0,2,0,0,0,0|1,0,0]=3 101 B6R0.3 C[C@H](C(=O)OC)N ACT07214 [0,2,0,0,0,0|1,0,0]=3 102 B6R0.4 CC(C)CON=O ACT08297 [0,2,0,0,0,0|0,0,1]=3 103 B6R0.5 CC(C)(C)CCO ACT02969 [0,2,0,0,0,0|0,0,2]=4 104 B6R0.5 CC(C)(C)ON=O ACT08292 [0,2,0,0,0,0|1,0,0]=3 105 B6R0.5 C[Si](C)(C)CC=C ACT10237 [0,2,0,0,0,0|1,1,0]=4 106 B6R0.7 CC(=O)C(C)(C)O ACT02809 [0,2,0,0,0,0|0,0,0]=2 107 B6R0.7 CC(C)(C)C(=O)N ACT11908 [0,2,0,0,0,0|0,0,0]=2 108 B6R0.7 CC(C)(C)S(=O)N ACT01898 [0,2,0,0,0,0|1,0,0]=3 109 B6R0.7 CC(C)(C)[S@@](=O)N ACT01897 [0,2,0,0,0,0|1,0,0]=3 110 B6R0.7 CN(C)P(=O)(Cl)Cl ACT04092 [0,2,0,0,0,0|2,0,0]=4 111 B4R1.1 C1CNC1 ACT04149 [1,0,0,1,0,0|1,0,1]=4 112 B6R1.2 C1C=CCC1N ACT10576 [0,1,0,1,0,0|2,0,0]=4 113 B6R1.2 C[C@@H]1CCNC1 ACT09361 [0,1,0,1,0,0|1,0,1]=4 114 B6R1.2 C[C@H]1CCCN1 ACT06587 [0,1,0,1,0,0|1,0,1]=4 115 B6R1.2 C[C@H]1CCNC1 ACT11957 [0,1,0,1,0,0|1,0,1]=4 116 B6R1.10 CC1(CNC1)C ACT11956 [0,1,0,1,0,0|1,0,1]=4 117 B6R1.11 B(C1CC1)(O)O ACT02189 [0,1,0,1,0,0|1,0,1]=4 118 B6R1.6 C1C(CN1)C#N ACT04900 [0,1,0,1,0,0|1,0,1]=4 119 B6R1.6 C1CC(C1)CBr ACT03403 [0,1,0,1,0,0|1,0,1]=4 120 B6R1.6 C1CC(C1)CO ACT03329 [0,1,0,1,0,0|0,0,2]=4