0 B5R0.1 C(CN)C(=O)N ACT05141 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.1 C(CN)C(=O)O ACT04890 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.1 CC#CC(=O)O ACT02801 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 CC(=CC#N)N ACT07325 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 CC(=CCS)C ACT06408 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.1 CC(C)CCS ACT06430 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 CCSC(=O)C ACT06390 [0,0,0,0,0,0|0,1,0]=1 7 B5R0.1 CNCC(=O)O ACT04970 [0,0,0,0,0,0|3,0,0]=3 8 B4R0.1 C(=O)(N)NO ACT02611 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.1 C(=O)C(=O)O ACT06826 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.1 C(C(=N)N)N ACT10088 [1,0,0,0,0,0|3,0,0]=4 11 B4R0.1 C(C(=O)Br)Br ACT03212 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.1 C(C(=O)O)Br ACT01771 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.1 CC(=C)CBr ACT08856 [1,0,0,0,0,0|2,0,0]=3 14 B4R0.1 CC(=N)OC ACT09196 [1,0,0,0,0,0|1,0,0]=2 15 B4R0.1 CC(=O)C#C ACT08607 [1,0,0,0,0,0|0,0,2]=3 16 B4R0.1 CC(=O)CCl ACT09266 [1,0,0,0,0,0|1,0,0]=2 17 B4R0.1 CC(=O)SC ACT06385 [1,0,0,0,0,0|0,1,0]=2 18 B4R0.1 CC(C)CS ACT06243 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 CC=C(C)Br ACT12017 [1,0,0,0,0,0|1,0,1]=3 20 B4R0.1 C[C@@H](CN)N ACT04807 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 C[C@H](CN)N ACT06789 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.2 C=CCCBr ACT03064 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.2 CC#CCBr ACT08918 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.2 CC#CCO ACT02835 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.2 CCCCS ACT06241 [1,0,0,0,0,0|1,1,1]=4 26 B4R0.2 CCCSC ACT06183 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.2 CCOC#C ACT10610 [1,0,0,0,0,0|0,0,2]=3 28 B4R0.2 CCSCC ACT06138 [1,0,0,0,0,0|0,1,1]=3 29 B4R0.2 CNCC=C ACT04698 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.2 CSCC=C ACT06184 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.2 CSCCO ACT06338 [1,0,0,0,0,0|3,0,0]=4 32 B4R0.2 CSSSC ACT06121 [1,0,0,0,0,0|2,1,0]=4 33 B6R0.1 CC#CC(=O)OC ACT09348 [0,1,0,0,0,0|1,0,1]=3 34 B6R0.1 CCCC(=O)SC ACT06405 [0,1,0,0,0,0|1,0,0]=2 35 B6R0.1 CCOC(=O)C#C ACT08916 [0,1,0,0,0,0|0,0,1]=2 36 B6R0.1 CCOC(=O)CBr ACT01957 [0,1,0,0,0,0|0,0,0]=1 37 B6R0.1 CCOC(=O)CN ACT03311 [0,1,0,0,0,0|0,0,0]=1 38 B6R0.1 CC\C=C(/C)\C=O ACT06055 [0,1,0,0,0,0|1,0,0]=2 39 B6R0.1 CNCC(=O)OC ACT07185 [0,1,0,0,0,0|2,0,0]=3 40 B6R0.1 COC(=O)CCN ACT07866 [0,1,0,0,0,0|2,0,0]=3 41 B6R0.2 CC(C)NC(C)C ACT04717 [0,1,0,0,0,0|2,0,1]=4 42 B6R0.2 CC(C)SC(C)C ACT06148 [0,1,0,0,0,0|1,1,1]=4 43 B6R0.2 C[C@@H](CC(=O)O)N ACT02393 [0,1,0,0,0,0|2,0,0]=3 44 B6R0.2 C[C@@H](CC(=O)O)N ACT09644 [0,1,0,0,0,0|2,0,0]=3 45 B6R0.2 C[C@H](CC(=O)O)N ACT05190 [0,1,0,0,0,0|2,0,0]=3 46 B6R0.3 C(C(=O)C(=O)O)Br ACT09279 [0,1,0,0,0,0|3,0,0]=4 47 B6R0.3 C(C(C(=O)O)N)O ACT07798 [0,1,0,0,0,0|3,0,0]=4 48 B6R0.3 C([C@@H](C(=O)N)N)O ACT05215 [0,1,0,0,0,0|3,0,0]=4 49 B6R0.3 C([C@@H](C(=O)O)N)O ACT08366 [0,1,0,0,0,0|3,0,0]=4 50 B6R0.3 CC(CN)C(=O)O ACT09241 [0,1,0,0,0,0|3,0,0]=4 51 B6R0.3 CCC(=O)N(C)C ACT06844 [0,1,0,0,0,0|3,0,0]=4 52 B6R0.3 CCC(C(=O)C)S ACT06317 [0,1,0,0,0,0|1,0,0]=2 53 B6R0.3 CCC(C(=O)O)Br ACT02003 [0,1,0,0,0,0|2,0,0]=3 54 B6R0.3 CC[C@@H](C(=O)O)N ACT03155 [0,1,0,0,0,0|2,0,0]=3 55 B6R0.4 C(CC(=O)O)CN ACT11886 [0,1,0,0,0,0|2,0,0]=3 56 B6R0.4 C(C[N+](=O)[O-])CO ACT03952 [0,1,0,0,0,0|3,0,0]=4 57 B6R0.4 C(\C=C\C(=O)O)Cl ACT11965 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.4 CC(=O)CCCO ACT07203 [0,1,0,0,0,0|1,0,0]=2 59 B6R0.4 CC(=O)NCCCl ACT10150 [0,1,0,0,0,0|1,0,0]=2 60 B6R0.4 CCCSC(=O)C ACT06394 [0,1,0,0,0,0|0,1,0]=2 61 B6R0.5 C(OS(=O)(=O)Cl)Cl ACT02782 [0,1,0,0,0,0|3,0,0]=4 62 B6R0.5 CCOP(=O)(Cl)Cl ACT04099 [0,1,0,0,0,0|2,0,0]=3 63 B6R0.5 CS(=O)(=O)CCN ACT11674 [0,1,0,0,0,0|3,0,0]=4 64 B6R1.2 C1CNC(=S)N1 ACT05417 [0,0,0,1,0,0|2,1,0]=4 65 B6R1.2 C[C@H]1CCCN1 ACT06587 [0,0,0,1,0,0|2,0,1]=4 66 B3R0.1 C=CCS ACT06237 [2,0,0,0,0,0|1,0,1]=4 67 B3R0.1 CCCS ACT06229 [2,0,0,0,0,0|0,1,1]=4 68 B3R0.1 CCSC ACT06182 [2,0,0,0,0,0|0,1,0]=3 69 B3R0.1 CSSC ACT06113 [2,0,0,0,0,0|1,1,0]=4 70 B3R0.2 CC(=O)Br ACT03135 [2,0,0,0,0,0|1,0,0]=3 71 B3R0.2 CC(=O)[S-] ACT05622 [2,0,0,0,0,0|0,1,0]=3 72 B3R0.2 CC(C)S ACT06230 [2,0,0,0,0,0|0,1,1]=4 73 B3R0.2 CC(C)[CH2-] ACT07636 [2,0,0,0,0,0|1,0,1]=4 74 B3R0.2 CP(C)C ACT08935 [2,0,0,0,0,0|2,0,0]=4 75 B5R0.3 COC(=O)C#C ACT08917 [1,1,0,0,0,0|0,0,1]=3 76 B5R0.3 COC(=O)CBr ACT01939 [1,1,0,0,0,0|0,0,0]=2 77 B5R0.3 COC(=O)CN ACT08376 [1,1,0,0,0,0|0,0,0]=2 78 B5R0.5 CC(=O)C(=O)C ACT06100 [1,1,0,0,0,0|0,0,1]=3 79 B5R0.5 CC(C(=O)Br)Br ACT03417 [1,1,0,0,0,0|1,0,0]=3 80 B5R0.5 CC(C(=O)C)O ACT06054 [1,1,0,0,0,0|0,0,0]=2 81 B5R0.5 CC(C(=O)C)S ACT06274 [1,1,0,0,0,0|0,0,0]=2 82 B5R0.5 CC(C(=O)O)Br ACT01974 [1,1,0,0,0,0|1,0,0]=3 83 B5R0.5 CC(C(=O)O)N ACT07794 [1,1,0,0,0,0|1,0,0]=3 84 B5R0.5 CC(C(C)S)O ACT06277 [1,1,0,0,0,0|0,0,2]=4 85 B5R0.5 CC(C)C(=O)Cl ACT05625 [1,1,0,0,0,0|1,0,0]=3 86 B5R0.5 C[C@@H](C(=O)N)N ACT03139 [1,1,0,0,0,0|1,0,0]=3 87 B5R0.5 C[C@H](C(=O)N)N ACT10902 [1,1,0,0,0,0|1,0,0]=3 88 B5R0.5 C[C@H](C(=O)O)N ACT07928 [1,1,0,0,0,0|1,0,0]=3 89 B5R0.2 C(\C=C/CCl)Cl ACT03396 [1,1,0,0,0,0|2,0,0]=4 90 B5R0.2 C(\C=C/CCl)Cl ACT03396 [1,1,0,0,0,0|2,0,0]=4 91 B5R0.2 C(\C=C\CBr)Br ACT03298 [1,1,0,0,0,0|2,0,0]=4 92 B5R0.2 C(\C=C\CCl)Cl ACT12010 [1,1,0,0,0,0|2,0,0]=4 93 B5R0.2 C(\C=C\CCl)O ACT12012 [1,1,0,0,0,0|2,0,0]=4 94 B5R0.2 C=CCCCBr ACT10075 [1,1,0,0,0,0|1,0,1]=4 95 B5R0.2 C=CCCCO ACT03061 [1,1,0,0,0,0|1,0,1]=4 96 B5R0.2 CCCSSC ACT06210 [1,1,0,0,0,0|1,1,0]=4 97 B5R0.2 CCSSCC ACT06136 [1,1,0,0,0,0|0,1,1]=4 98 B5R0.2 CNCCNC ACT07313 [1,1,0,0,0,0|2,0,0]=4 99 B5R0.2 CSCCCO ACT06341 [1,1,0,0,0,0|2,0,0]=4 100 B7R0.2 C([C@H](CN)O)C(=O)O ACT10094 [0,2,0,0,0,0|2,0,0]=4 101 B7R0.2 CC[C@H](C)CC(=O)O ACT09115 [0,2,0,0,0,0|2,0,0]=4 102 B7R0.2 C[C@H](CC(=O)OC)O ACT06831 [0,2,0,0,0,0|1,0,0]=3 103 B7R0.3 COC(=O)CCC=O ACT08469 [0,2,0,0,0,0|1,0,1]=4 104 B7R0.3 COC(=O)CCSC ACT06346 [0,2,0,0,0,0|1,0,0]=3 105 B7R0.5 C(CBr)C(C(=O)O)Br ACT09951 [0,2,0,0,0,0|2,0,0]=4 106 B7R0.5 C(CN)C(C(=O)O)O ACT11882 [0,2,0,0,0,0|2,0,0]=4 107 B7R0.5 C(CN)[C@@H](C(=O)O)O ACT02354 [0,2,0,0,0,0|2,0,0]=4 108 B7R0.5 CCOC(=O)C(=O)Cl ACT12045 [0,2,0,0,0,0|0,0,1]=3 109 B7R0.5 CCOC(=O)C(C)Br ACT02065 [0,2,0,0,0,0|0,0,0]=2 110 B7R0.5 CCOC(=O)C(C)Cl ACT02803 [0,2,0,0,0,0|0,0,0]=2 111 B7R0.5 CCOC(=O)C(C)N ACT08470 [0,2,0,0,0,0|0,0,0]=2 112 B7R0.5 CCOC(=O)[C@H](C)N ACT00044 [0,2,0,0,0,0|0,0,0]=2 113 B7R0.7 CCOC(=O)C#CC ACT02922 [0,2,0,0,0,0|0,0,0]=2 114 B7R0.7 CCOC(=O)CCN ACT00057 [0,2,0,0,0,0|0,0,0]=2 115 B7R0.7 CCOC(=O)CNC ACT08249 [0,2,0,0,0,0|0,0,0]=2 116 B7R0.7 CCOC(=O)C[N+]#[C-] ACT02731 [0,2,0,0,0,0|0,0,0]=2 117 B7R0.7 CCOP(OCC)Cl ACT04090 [0,2,0,0,0,0|2,0,0]=4 118 B7R0.10 CCC(C(=O)OC)Br ACT02122 [0,2,0,0,0,0|1,0,0]=3 119 B7R0.10 CC[C@H](C(=O)OC)N ACT10443 [0,2,0,0,0,0|1,0,0]=3 120 B7R0.10 COC(=O)C(=C)CO ACT03973 [0,2,0,0,0,0|2,0,0]=4 121 B7R0.10 COC(=O)C(CO)N ACT08359 [0,2,0,0,0,0|2,0,0]=4 122 B7R0.10 COC(=O)[C@@H](CO)N ACT05963 [0,2,0,0,0,0|2,0,0]=4 123 B7R0.10 COC(=O)[C@H](CO)N ACT09183 [0,2,0,0,0,0|2,0,0]=4 124 B7R0.10 COC(=O)[C@H](CS)N ACT07406 [0,2,0,0,0,0|2,0,0]=4 125 B7R0.9 CC(=O)CC(C)(C)S ACT05878 [0,2,0,0,0,0|1,0,0]=3 126 B7R0.9 CC(=O)N[Si](C)(C)C ACT08258 [0,2,0,0,0,0|1,1,0]=4 127 B7R0.9 CC(=O)O[Si](C)(C)C ACT09455 [0,2,0,0,0,0|0,1,0]=3 128 B7R0.9 CC(C)(C)CC(=O)Cl ACT06988 [0,2,0,0,0,0|2,0,0]=4 129 B7R0.9 CC(C)(C)CC(=O)O ACT06987 [0,2,0,0,0,0|2,0,0]=4 130 B7R0.16 CC(C)[C@H](C(=O)N)N ACT03147 [0,2,0,0,0,0|2,0,0]=4 131 B7R0.16 CC(C)[C@H](C(=O)O)N ACT04818 [0,2,0,0,0,0|2,0,0]=4 132 B7R0.13 CCC(C)(C)C(=O)Cl ACT06819 [0,2,0,0,0,0|2,0,0]=4 133 B7R0.13 CCC(C)(C)C(=O)O ACT06818 [0,2,0,0,0,0|2,0,0]=4 134 B7R0.13 CC[C@@](C)(C(=O)O)N ACT09522 [0,2,0,0,0,0|2,0,0]=4 135 B7R0.4 C(CCN)CC(=O)O ACT10888 [0,2,0,0,0,0|2,0,0]=4 136 B7R0.4 C(CCl)OCC(=O)N ACT03751 [0,2,0,0,0,0|1,0,0]=3 137 B7R0.4 CC(=O)CCCCBr ACT03439 [0,2,0,0,0,0|1,0,0]=3 138 B7R0.6 CC(=O)CCC(=O)C ACT02799 [0,2,0,0,0,0|1,0,0]=3 139 B7R0.6 CC(=O)NCC(=O)O ACT08307 [0,2,0,0,0,0|1,0,1]=4 140 B7R0.6 CN(C)CCC(=O)O ACT09593 [0,2,0,0,0,0|2,0,0]=4 141 B5R1.1 C1C=CCN1 ACT12011 [1,0,0,1,0,0|2,0,0]=4 142 B5R1.1 C1CCCC1 ACT08097 [1,0,0,1,0,0|1,0,1]=4 143 B5R1.1 C1CCOC1 ACT09264 [1,0,0,1,0,0|0,0,1]=3 144 B7R1.2 C1CC(=O)OC1=O ACT11409 [0,1,0,1,0,0|0,0,1]=3 145 B7R1.2 C1[C@@H](CNC1=O)O ACT01696 [0,1,0,1,0,0|1,0,0]=3 146 B7R1.2 Cc1cc(on1)C ACT07874 [0,1,0,1,0,0|1,0,1]=4 147 B7R1.2 Cc1ccc(o1)C ACT06577 [0,1,0,1,0,0|1,0,1]=4 148 B7R1.3 C1CC(COC1)O ACT09202 [0,1,0,1,0,0|0,0,2]=4 149 B7R1.3 C1CNCCC1=O ACT02123 [0,1,0,1,0,0|1,0,0]=3 150 B7R1.3 C1COCCC1=O ACT01867 [0,1,0,1,0,0|1,0,0]=3 151 B7R1.4 C1C(C(=O)NO1)N ACT10891 [0,1,0,1,0,0|2,0,0]=4 152 B7R1.4 C1CNC(=O)C1N ACT09401 [0,1,0,1,0,0|1,0,0]=3 153 B7R1.4 C1[C@@H](C(=O)NO1)N ACT10801 [0,1,0,1,0,0|2,0,0]=4 154 B7R1.4 C1[C@H](C(=O)NO1)N ACT04767 [0,1,0,1,0,0|2,0,0]=4 155 B7R1.4 CC1C(=O)CCO1 ACT06568 [0,1,0,1,0,0|0,0,1]=3 156 B7R1.4 CC1C(=O)CCS1 ACT06593 [0,1,0,1,0,0|0,1,1]=4 157 B7R1.18 C1CN[C@@H]1C(=O)O ACT01799 [0,1,0,1,0,0|2,0,0]=4 158 B7R1.14 C1CCS(=O)(=O)C1 ACT10985 [0,1,0,1,0,0|2,0,0]=4