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|1,0,1]=2 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|1,1,0]=2 4 B4R0.1 C(C(=O)O)Br ACT01771 [0,0,0,0,0,0|0,1,0]=1 5 B4R0.1 CC(=C)CBr ACT08856 [0,0,0,0,0,0|2,1,0]=3 6 B4R0.1 CC(=N)OC ACT09196 [0,0,0,0,0,0|4,0,0]=4 7 B4R0.1 CC(=O)C#C ACT08607 [0,0,0,0,0,0|2,0,1]=3 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|3,0,0]=3 10 B4R0.1 CC(C#C)O ACT09213 [0,0,0,0,0,0|2,0,2]=4 11 B4R0.1 CC(C)CS ACT06243 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.1 CC=C(C)Br ACT12017 [0,0,0,0,0,0|3,0,1]=4 13 B4R0.1 C[C@@H](CN)N ACT04807 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.1 C[C@H](CN)N ACT06789 [0,0,0,0,0,0|3,0,1]=4 15 B3R0.1 C#CCBr ACT00929 [1,0,0,0,0,0|1,1,1]=4 16 B3R0.1 C#CCN ACT03245 [1,0,0,0,0,0|2,0,1]=4 17 B3R0.1 C(CCl)O ACT07200 [1,0,0,0,0,0|0,0,1]=2 18 B3R0.1 C(CF)O ACT09629 [1,0,0,0,0,0|0,1,1]=3 19 B3R0.1 C=CCS ACT06237 [1,0,0,0,0,0|2,0,0]=3 20 B3R0.1 CCCS ACT06229 [1,0,0,0,0,0|1,1,1]=4 21 B3R0.1 CCSC ACT06182 [1,0,0,0,0,0|3,0,0]=4 22 B3R0.2 CC(=O)Br ACT03135 [1,0,0,0,0,0|1,0,0]=2 23 B3R0.2 CC(=O)[S-] ACT05622 [1,0,0,0,0,0|0,1,0]=2 24 B3R0.2 CC(C)S ACT06230 [1,0,0,0,0,0|1,1,1]=4 25 B3R0.2 CC(C)[CH2-] ACT07636 [1,0,0,0,0,0|2,0,1]=4 26 B3R0.2 CP(C)C ACT08935 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.1 C(CN)C(=O)N ACT05141 [0,1,0,0,0,0|2,0,0]=3 28 B5R0.1 C(CN)C(=O)O ACT04890 [0,1,0,0,0,0|1,0,0]=2 29 B5R0.1 CC#CC(=O)O ACT02801 [0,1,0,0,0,0|1,0,1]=3 30 B5R0.1 CC(=CCS)C ACT06408 [0,1,0,0,0,0|3,0,0]=4 31 B5R0.1 CCSC(=O)C ACT06390 [0,1,0,0,0,0|2,0,0]=3 32 B5R0.1 CNCC(=O)O ACT04970 [0,1,0,0,0,0|1,0,0]=2 33 B5R0.3 C(C(CO)O)N ACT05643 [0,1,0,0,0,0|1,0,2]=4 34 B5R0.3 C([C@@H](CCl)O)N ACT03555 [0,1,0,0,0,0|1,0,1]=3 35 B5R0.3 C([C@H](CCl)O)O ACT05632 [0,1,0,0,0,0|0,0,2]=3 36 B5R0.3 CC(CCl)CBr ACT04986 [0,1,0,0,0,0|2,0,1]=4 37 B5R0.3 CCC(C#C)O ACT09706 [0,1,0,0,0,0|2,0,1]=4 38 B5R0.3 CCC(C=C)O ACT06029 [0,1,0,0,0,0|2,0,1]=4 39 B5R0.3 COC(=O)C#C ACT08917 [0,1,0,0,0,0|1,0,1]=3 40 B5R0.3 COC(=O)CBr ACT01939 [0,1,0,0,0,0|0,1,0]=2 41 B5R0.3 COC(=O)CN ACT08376 [0,1,0,0,0,0|1,0,0]=2 42 B5R0.4 C[Si](C)(C)CCl ACT08903 [0,1,0,0,0,0|2,1,0]=4 43 B5R0.5 CC(=O)C(=O)C ACT06100 [0,1,0,0,0,0|2,0,1]=4 44 B5R0.5 CC(C(=O)Br)Br ACT03417 [0,1,0,0,0,0|1,1,0]=3 45 B5R0.5 CC(C(=O)C)O ACT06054 [0,1,0,0,0,0|2,0,0]=3 46 B5R0.5 CC(C(=O)C)S ACT06274 [0,1,0,0,0,0|2,0,0]=3 47 B5R0.5 CC(C(=O)O)Br ACT01974 [0,1,0,0,0,0|0,1,0]=2 48 B5R0.5 CC(C(=O)O)N ACT07794 [0,1,0,0,0,0|1,0,0]=2 49 B5R0.5 CC(C(C)S)O ACT06277 [0,1,0,0,0,0|2,0,1]=4 50 B5R0.5 CC(C)C(=O)Cl ACT05625 [0,1,0,0,0,0|2,0,0]=3 51 B5R0.5 C[C@@H](C(=O)N)N ACT03139 [0,1,0,0,0,0|2,0,0]=3 52 B5R0.5 C[C@H](C(=O)N)N ACT10902 [0,1,0,0,0,0|2,0,0]=3 53 B5R0.5 C[C@H](C(=O)O)N ACT07928 [0,1,0,0,0,0|1,0,0]=2 54 B5R1.2 C1C(CN1)O ACT02769 [0,0,0,1,0,0|2,0,1]=4 55 B2R0.1 CC#N ACT03992 [2,0,0,0,0,0|1,0,1]=4 56 B2R0.1 CCI ACT05467 [2,0,0,0,0,0|0,1,1]=4 57 B2R0.1 CSC ACT08194 [2,0,0,0,0,0|2,0,0]=4 58 B4R0.2 C#CCCO ACT08938 [1,1,0,0,0,0|1,0,1]=4 59 B4R0.2 C(CCl)CBr ACT04979 [1,1,0,0,0,0|1,0,1]=4 60 B4R0.2 C=CCCBr ACT03064 [1,1,0,0,0,0|1,1,0]=4 61 B4R0.2 CNCC=C ACT04698 [1,1,0,0,0,0|2,0,0]=4 62 B4R0.2 CSCC=C ACT06184 [1,1,0,0,0,0|2,0,0]=4 63 B4R0.2 CSCCO ACT06338 [1,1,0,0,0,0|1,0,1]=4 64 B4R0.3 C[S+](=O)(C)C ACT04864 [1,1,0,0,0,0|2,0,0]=4 65 B4R0.3 C[S+](=O)(C)C ACT09781 [1,1,0,0,0,0|2,0,0]=4 66 B6R0.1 CC#CC(=O)OC ACT09348 [0,2,0,0,0,0|1,0,1]=4 67 B6R0.1 CCCC(=O)SC ACT06405 [0,2,0,0,0,0|1,1,0]=4 68 B6R0.1 CCOC(=O)C#C ACT08916 [0,2,0,0,0,0|1,0,1]=4 69 B6R0.1 CCOC(=O)CBr ACT01957 [0,2,0,0,0,0|0,1,0]=3 70 B6R0.1 CCOC(=O)CN ACT03311 [0,2,0,0,0,0|1,0,0]=3 71 B6R0.1 CC\C=C(/C)\C=O ACT06055 [0,2,0,0,0,0|2,0,0]=4 72 B6R0.1 CNCC(=O)OC ACT07185 [0,2,0,0,0,0|1,0,0]=3 73 B6R0.1 COC(=O)CCN ACT07866 [0,2,0,0,0,0|1,0,0]=3 74 B6R0.2 C[C@@H](CC(=O)O)N ACT02393 [0,2,0,0,0,0|1,0,0]=3 75 B6R0.2 C[C@@H](CC(=O)O)N ACT09644 [0,2,0,0,0,0|1,0,0]=3 76 B6R0.2 C[C@H](CC(=O)O)N ACT05190 [0,2,0,0,0,0|1,0,0]=3 77 B6R0.3 C(C(=O)C(=O)O)Br ACT09279 [0,2,0,0,0,0|0,1,0]=3 78 B6R0.3 C(C(C(=O)O)N)O ACT07798 [0,2,0,0,0,0|1,0,0]=3 79 B6R0.3 C([C@@H](C(=O)N)N)O ACT05215 [0,2,0,0,0,0|2,0,0]=4 80 B6R0.3 C([C@@H](C(=O)O)N)O ACT08366 [0,2,0,0,0,0|1,0,0]=3 81 B6R0.3 CC(CN)C(=O)O ACT09241 [0,2,0,0,0,0|1,0,0]=3 82 B6R0.3 CCC(=O)N(C)C ACT06844 [0,2,0,0,0,0|2,0,0]=4 83 B6R0.3 CCC(C(=O)C)S ACT06317 [0,2,0,0,0,0|2,0,0]=4 84 B6R0.3 CCC(C(=O)O)Br ACT02003 [0,2,0,0,0,0|0,1,0]=3 85 B6R0.3 CC[C@@H](C(=O)O)N ACT03155 [0,2,0,0,0,0|1,0,0]=3 86 B6R0.3 CN(C)C(=O)CCl ACT03938 [0,2,0,0,0,0|1,0,0]=3 87 B6R0.3 C[C@@H](C(=O)OC)N ACT02716 [0,2,0,0,0,0|1,0,0]=3 88 B6R0.3 C[C@@H](C(=O)OC)N ACT07687 [0,2,0,0,0,0|1,0,0]=3 89 B6R0.3 C[C@H](C(=O)OC)N ACT07214 [0,2,0,0,0,0|1,0,0]=3 90 B6R0.4 C(CC(=O)O)CN ACT11886 [0,2,0,0,0,0|1,0,0]=3 91 B6R0.4 C(\C=C\C(=O)O)Cl ACT11965 [0,2,0,0,0,0|0,0,0]=2 92 B6R0.4 CC(=O)CCCO ACT07203 [0,2,0,0,0,0|2,0,0]=4 93 B6R0.4 CC(=O)NCCCl ACT10150 [0,2,0,0,0,0|1,0,0]=3 94 B6R0.4 CCCSC(=O)C ACT06394 [0,2,0,0,0,0|2,0,0]=4 95 B6R0.5 C(CS(=O)(=O)O)N ACT04713 [0,2,0,0,0,0|2,0,0]=4 96 B6R0.5 C(OS(=O)(=O)Cl)Cl ACT02782 [0,2,0,0,0,0|1,0,1]=4 97 B6R0.7 CC(=O)C(C)(C)O ACT02809 [0,2,0,0,0,0|2,0,0]=4 98 B6R0.7 CC(C)(C)C(=O)N ACT11908 [0,2,0,0,0,0|2,0,0]=4