0 B4R0.1 C(=O)(N)NO ACT02611 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.1 C(=O)C(=O)O ACT06826 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 C(C(=N)N)N ACT10088 [0,0,0,0,0,0|3,0,0]=3 3 B4R0.1 C(C(=O)Br)Br ACT03212 [0,0,0,0,0,0|2,0,0]=2 4 B4R0.1 C(C(=O)O)Br ACT01771 [0,0,0,0,0,0|2,0,0]=2 5 B4R0.1 CC(=C)CBr ACT08856 [0,0,0,0,0,0|2,0,0]=2 6 B4R0.1 CC(=N)OC ACT09196 [0,0,0,0,0,0|2,0,0]=2 7 B4R0.1 CC(=O)C#C ACT08607 [0,0,0,0,0,0|0,0,2]=2 8 B4R0.1 CC(=O)CCl ACT09266 [0,0,0,0,0,0|1,0,0]=1 9 B4R0.1 CC(=O)SC ACT06385 [0,0,0,0,0,0|1,0,0]=1 10 B4R0.1 CC(C#C)O ACT09213 [0,0,0,0,0,0|0,0,4]=4 11 B4R0.1 CC(C)CS ACT06243 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.1 CC=C(C)Br ACT12017 [0,0,0,0,0,0|1,0,1]=2 13 B4R0.1 C[C@@H](CN)N ACT04807 [0,0,0,0,0,0|2,0,1]=3 14 B4R0.1 C[C@H](CN)N ACT06789 [0,0,0,0,0,0|2,0,1]=3 15 B3R0.1 C#CCBr ACT00929 [1,0,0,0,0,0|1,0,2]=4 16 B3R0.1 C#CCN ACT03245 [1,0,0,0,0,0|1,0,2]=4 17 B3R0.1 C(CCl)O ACT07200 [1,0,0,0,0,0|1,0,2]=4 18 B3R0.1 C(CF)O ACT09629 [1,0,0,0,0,0|1,0,2]=4 19 B3R0.1 C=CCS ACT06237 [1,0,0,0,0,0|1,0,1]=3 20 B3R0.1 CCCS ACT06229 [1,0,0,0,0,0|0,1,1]=3 21 B3R0.1 CCSC ACT06182 [1,0,0,0,0,0|1,0,0]=2 22 B3R0.1 CSSC ACT06113 [1,0,0,0,0,0|2,0,0]=3 23 B3R0.2 CC(=O)Br ACT03135 [1,0,0,0,0,0|1,0,0]=2 24 B3R0.2 CC(=O)[S-] ACT05622 [1,0,0,0,0,0|1,0,0]=2 25 B3R0.2 CC(C)S ACT06230 [1,0,0,0,0,0|0,1,1]=3 26 B3R0.2 CC(C)[CH2-] ACT07636 [1,0,0,0,0,0|1,0,1]=3 27 B3R0.2 CP(C)C ACT08935 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.1 C(CN)C(=O)N ACT05141 [0,1,0,0,0,0|1,0,0]=2 29 B5R0.1 C(CN)C(=O)O ACT04890 [0,1,0,0,0,0|1,0,0]=2 30 B5R0.1 CC#CC(=O)O ACT02801 [0,1,0,0,0,0|1,0,1]=3 31 B5R0.1 CC(=CC#N)N ACT07325 [0,1,0,0,0,0|1,0,2]=4 32 B5R0.1 CC(=CCS)C ACT06408 [0,1,0,0,0,0|1,0,1]=3 33 B5R0.1 CC(C)CCS ACT06430 [0,1,0,0,0,0|1,0,1]=3 34 B5R0.1 CCSC(=O)C ACT06390 [0,1,0,0,0,0|0,0,0]=1 35 B5R0.1 CNCC(=O)O ACT04970 [0,1,0,0,0,0|1,0,0]=2 36 B5R0.3 C(C(CO)O)N ACT05643 [0,1,0,0,0,0|1,0,2]=4 37 B5R0.3 C([C@@H](CCl)O)N ACT03555 [0,1,0,0,0,0|1,0,2]=4 38 B5R0.3 C([C@H](CCl)O)O ACT05632 [0,1,0,0,0,0|1,0,2]=4 39 B5R0.3 CC(CCl)CBr ACT04986 [0,1,0,0,0,0|2,0,1]=4 40 B5R0.3 CCC(C#C)O ACT09706 [0,1,0,0,0,0|0,0,3]=4 41 B5R0.3 CCC(C=C)O ACT06029 [0,1,0,0,0,0|0,0,3]=4 42 B5R0.3 COC(=O)C#C ACT08917 [0,1,0,0,0,0|0,0,2]=3 43 B5R0.3 COC(=O)CBr ACT01939 [0,1,0,0,0,0|1,0,0]=2 44 B5R0.3 COC(=O)CN ACT08376 [0,1,0,0,0,0|1,0,0]=2 45 B5R0.4 CC(C)(C)CBr ACT09941 [0,1,0,0,0,0|2,0,1]=4 46 B5R0.4 CC(C)(C)CO ACT08906 [0,1,0,0,0,0|2,0,1]=4 47 B5R0.4 CC(CO)(F)F ACT02888 [0,1,0,0,0,0|2,0,1]=4 48 B5R0.4 C[Si](C)(C)CBr ACT09165 [0,1,0,0,0,0|2,1,0]=4 49 B5R0.4 C[Si](C)(C)CCl ACT08903 [0,1,0,0,0,0|2,1,0]=4 50 B5R0.4 C[Si](C)(C)CI ACT09709 [0,1,0,0,0,0|2,1,0]=4 51 B5R0.4 C[Si](C)(C)CN ACT09163 [0,1,0,0,0,0|2,1,0]=4 52 B5R0.4 C[Si](C)(C)CO ACT09537 [0,1,0,0,0,0|2,1,0]=4 53 B5R0.5 CC(=O)C(=O)C ACT06100 [0,1,0,0,0,0|0,0,1]=2 54 B5R0.5 CC(C(=O)Br)Br ACT03417 [0,1,0,0,0,0|1,0,0]=2 55 B5R0.5 CC(C(=O)C)O ACT06054 [0,1,0,0,0,0|0,0,0]=1 56 B5R0.5 CC(C(=O)C)S ACT06274 [0,1,0,0,0,0|0,0,0]=1 57 B5R0.5 CC(C(=O)O)Br ACT01974 [0,1,0,0,0,0|1,0,0]=2 58 B5R0.5 CC(C(=O)O)N ACT07794 [0,1,0,0,0,0|1,0,0]=2 59 B5R0.5 CC(C(C)S)O ACT06277 [0,1,0,0,0,0|0,0,2]=3 60 B5R0.5 CC(C)C(=O)Cl ACT05625 [0,1,0,0,0,0|1,0,0]=2 61 B5R0.5 C[C@@H](C(=O)N)N ACT03139 [0,1,0,0,0,0|1,0,0]=2 62 B5R0.5 C[C@H](C(=O)N)N ACT10902 [0,1,0,0,0,0|1,0,0]=2 63 B5R0.5 C[C@H](C(=O)O)N ACT07928 [0,1,0,0,0,0|1,0,0]=2 64 B5R1.2 C1C(CN1)O ACT02769 [0,0,0,1,0,0|1,0,2]=4 65 B5R1.3 C1CC1CBr ACT02757 [0,0,0,1,0,0|2,0,1]=4 66 B2R0.1 CC#N ACT03992 [2,0,0,0,0,0|1,0,1]=4 67 B2R0.1 CCI ACT05467 [2,0,0,0,0,0|1,0,0]=3 68 B2R0.1 CSC ACT08194 [2,0,0,0,0,0|1,0,0]=3 69 B4R0.2 C#CCCO ACT08938 [1,1,0,0,0,0|0,0,2]=4 70 B4R0.2 C(CCl)CBr ACT04979 [1,1,0,0,0,0|1,0,1]=4 71 B4R0.2 C=CCCBr ACT03064 [1,1,0,0,0,0|0,0,1]=3 72 B4R0.2 CC#CCBr ACT08918 [1,1,0,0,0,0|0,0,2]=4 73 B4R0.2 CC#CCO ACT02835 [1,1,0,0,0,0|0,0,2]=4 74 B4R0.2 CCCCS ACT06241 [1,1,0,0,0,0|0,0,1]=3 75 B4R0.2 CCCSC ACT06183 [1,1,0,0,0,0|0,0,1]=3 76 B4R0.2 CCOC#C ACT10610 [1,1,0,0,0,0|0,0,2]=4 77 B4R0.2 CCSCC ACT06138 [1,1,0,0,0,0|0,0,1]=3 78 B4R0.2 CNCC=C ACT04698 [1,1,0,0,0,0|0,0,1]=3 79 B4R0.2 CSCC=C ACT06184 [1,1,0,0,0,0|0,0,1]=3 80 B4R0.2 CSCCO ACT06338 [1,1,0,0,0,0|1,0,0]=3 81 B4R0.2 CSSSC ACT06121 [1,1,0,0,0,0|2,0,0]=4 82 B4R0.3 CC(C)(C)[O-] ACT11948 [1,1,0,0,0,0|0,0,2]=4 83 B4R0.3 C[N+](C)(C)C ACT05642 [1,1,0,0,0,0|2,0,0]=4 84 B4R0.3 C[N+](C)(C)C ACT05647 [1,1,0,0,0,0|2,0,0]=4 85 B4R0.3 C[S+](=O)(C)C ACT04864 [1,1,0,0,0,0|1,0,0]=3 86 B4R0.3 C[S+](=O)(C)C ACT09781 [1,1,0,0,0,0|1,0,0]=3 87 B4R0.3 C[Si](C)(C)[O-] ACT09154 [1,1,0,0,0,0|0,1,1]=4 88 B6R0.1 CC#CC(=O)OC ACT09348 [0,2,0,0,0,0|0,0,1]=3 89 B6R0.1 CCCC(=O)SC ACT06405 [0,2,0,0,0,0|0,0,0]=2 90 B6R0.1 CCOC(=O)C#C ACT08916 [0,2,0,0,0,0|0,0,1]=3 91 B6R0.1 CCOC(=O)CBr ACT01957 [0,2,0,0,0,0|0,0,0]=2 92 B6R0.1 CCOC(=O)CN ACT03311 [0,2,0,0,0,0|0,0,0]=2 93 B6R0.1 CC\C=C(/C)\C=O ACT06055 [0,2,0,0,0,0|0,0,0]=2 94 B6R0.1 CNCC(=O)OC ACT07185 [0,2,0,0,0,0|0,0,0]=2 95 B6R0.1 CNCC(CO)O ACT08072 [0,2,0,0,0,0|0,0,2]=4 96 B6R0.1 COC(=O)CCN ACT07866 [0,2,0,0,0,0|0,0,0]=2 97 B6R0.2 CC(C)NC(C)C ACT04717 [0,2,0,0,0,0|1,0,1]=4 98 B6R0.2 CC(C)SC(C)C ACT06148 [0,2,0,0,0,0|1,0,1]=4 99 B6R0.2 C[C@@H](CC(=O)O)N ACT02393 [0,2,0,0,0,0|1,0,0]=3 100 B6R0.2 C[C@@H](CC(=O)O)N ACT09644 [0,2,0,0,0,0|1,0,0]=3 101 B6R0.2 C[C@H](CC(=O)O)N ACT05190 [0,2,0,0,0,0|1,0,0]=3 102 B6R0.3 C(C(=O)C(=O)O)Br ACT09279 [0,2,0,0,0,0|1,0,1]=4 103 B6R0.3 C(C(C(=O)O)N)O ACT07798 [0,2,0,0,0,0|1,0,0]=3 104 B6R0.3 C([C@@H](C(=O)N)N)O ACT05215 [0,2,0,0,0,0|1,0,0]=3 105 B6R0.3 C([C@@H](C(=O)O)N)O ACT08366 [0,2,0,0,0,0|1,0,0]=3 106 B6R0.3 CC(C)[C@@H](CO)N ACT04154 [0,2,0,0,0,0|1,0,1]=4 107 B6R0.3 CC(C)[C@H](CO)N ACT05171 [0,2,0,0,0,0|1,0,1]=4 108 B6R0.3 CC(CN)C(=O)O ACT09241 [0,2,0,0,0,0|1,0,0]=3 109 B6R0.3 CCC(=O)N(C)C ACT06844 [0,2,0,0,0,0|0,0,0]=2 110 B6R0.3 CCC(C(=O)C)S ACT06317 [0,2,0,0,0,0|0,0,0]=2 111 B6R0.3 CCC(C(=O)O)Br ACT02003 [0,2,0,0,0,0|1,0,0]=3 112 B6R0.3 CC[C@@H](C(=O)O)N ACT03155 [0,2,0,0,0,0|1,0,0]=3 113 B6R0.3 CN(C)C(=O)C=C ACT05674 [0,2,0,0,0,0|0,0,2]=4 114 B6R0.3 CN(C)C(=O)CCl ACT03938 [0,2,0,0,0,0|1,0,0]=3 115 B6R0.3 C[C@@H](C(=O)OC)N ACT02716 [0,2,0,0,0,0|0,0,0]=2 116 B6R0.3 C[C@@H](C(=O)OC)N ACT07687 [0,2,0,0,0,0|0,0,0]=2 117 B6R0.3 C[C@@H]([C@H](CO)N)O ACT04169 [0,2,0,0,0,0|0,0,2]=4 118 B6R0.3 C[C@H](C(=O)OC)N ACT07214 [0,2,0,0,0,0|0,0,0]=2 119 B6R0.3 C[C@H]([C@@H](CO)N)O ACT04168 [0,2,0,0,0,0|0,0,2]=4 120 B6R0.3 C[C@H]([C@@H](CO)N)O ACT10787 [0,2,0,0,0,0|0,0,2]=4 121 B6R0.4 C(CC(=O)O)CN ACT11886 [0,2,0,0,0,0|1,0,0]=3 122 B6R0.4 C(C[N+](=O)[O-])CO ACT03952 [0,2,0,0,0,0|2,0,0]=4 123 B6R0.4 C(\C=C\C(=O)O)Cl ACT11965 [0,2,0,0,0,0|1,0,1]=4 124 B6R0.4 CC(=O)CCCO ACT07203 [0,2,0,0,0,0|0,0,0]=2 125 B6R0.4 CC(=O)NCCCl ACT10150 [0,2,0,0,0,0|0,0,0]=2 126 B6R0.4 CCCSC(=O)C ACT06394 [0,2,0,0,0,0|0,0,0]=2 127 B6R0.5 C(CS(=O)(=O)O)N ACT04713 [0,2,0,0,0,0|2,0,0]=4 128 B6R0.5 CC(C)(C)CCO ACT02969 [0,2,0,0,0,0|1,0,1]=4 129 B6R0.5 CCOP(=O)(Cl)Cl ACT04099 [0,2,0,0,0,0|2,0,0]=4 130 B6R0.5 CS(=O)(=O)CCN ACT11674 [0,2,0,0,0,0|1,0,0]=3 131 B6R0.5 C[Si](C)(C)CCO ACT02730 [0,2,0,0,0,0|1,1,0]=4 132 B6R0.8 CCS(=O)(=O)C=C ACT04703 [0,2,0,0,0,0|1,0,1]=4 133 B6R0.9 CCN(CC)CC ACT11946 [0,2,0,0,0,0|2,0,0]=4 134 B6R0.9 CCP(CC)CC ACT04048 [0,2,0,0,0,0|2,0,0]=4 135 B6R0.9 CC[SiH](CC)CC ACT03434 [0,2,0,0,0,0|1,1,0]=4 136 B6R0.7 CC(=O)C(C)(C)O ACT02809 [0,2,0,0,0,0|0,0,0]=2 137 B6R0.7 CC(C)(C)C(=O)N ACT11908 [0,2,0,0,0,0|1,0,0]=3 138 B6R0.7 CC(C)(C)S(=O)N ACT01898 [0,2,0,0,0,0|2,0,0]=4 139 B6R0.7 CC(C)(C)[S@@](=O)N ACT01897 [0,2,0,0,0,0|2,0,0]=4 140 B4R1.1 C1CNC1 ACT04149 [1,0,0,1,0,0|1,0,0]=3 141 B6R1.2 C1CNC(=S)N1 ACT05417 [0,1,0,1,0,0|1,1,0]=4 142 B6R1.2 C1CNC[C@@H]1N ACT06688 [0,1,0,1,0,0|1,0,1]=4 143 B6R1.2 C1CNC[C@@H]1O ACT01716 [0,1,0,1,0,0|0,0,2]=4 144 B6R1.2 C1CNC[C@H]1N ACT04905 [0,1,0,1,0,0|1,0,1]=4 145 B6R1.2 C1CNC[C@H]1O ACT00442 [0,1,0,1,0,0|0,0,2]=4 146 B6R1.2 C1COC[C@@H]1O ACT10453 [0,1,0,1,0,0|0,0,2]=4 147 B6R1.2 C1COC[C@H]1N ACT06806 [0,1,0,1,0,0|1,0,1]=4 148 B6R1.2 C1COC[C@H]1O ACT05256 [0,1,0,1,0,0|0,0,2]=4 149 B6R1.2 C[C@@H]1CCNC1 ACT09361 [0,1,0,1,0,0|1,0,1]=4 150 B6R1.2 C[C@H]1CCCN1 ACT06587 [0,1,0,1,0,0|1,0,1]=4 151 B6R1.2 C[C@H]1CCNC1 ACT11957 [0,1,0,1,0,0|1,0,1]=4 152 B6R1.5 CN1CC(C1)N ACT10720 [0,1,0,1,0,0|1,0,1]=4 153 B6R1.10 CC1(CNC1)C ACT11956 [0,1,0,1,0,0|1,0,1]=4 154 B6R1.6 C1CC(C1)CBr ACT03403 [0,1,0,1,0,0|1,0,1]=4 155 B6R1.6 C1CC(C1)CO ACT03329 [0,1,0,1,0,0|0,0,2]=4