0 B7R1.2 C1C(=O)NC(=O)S1 ACT04253 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.2 C1CC(=O)OC1=O ACT11409 [0,0,0,0,0,0|1,0,1]=2 2 B7R1.2 C1[C@@H](CNC1=O)O ACT01696 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.2 CN1CCC(C1)O ACT03466 [0,0,0,0,0,0|2,0,2]=4 4 B7R1.2 CN1CC[C@@H](C1)N ACT10431 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.2 CN1CC[C@@H](C1)O ACT05086 [0,0,0,0,0,0|2,0,2]=4 6 B7R1.2 CN1CC[C@H](C1)O ACT05087 [0,0,0,0,0,0|2,0,2]=4 7 B7R1.2 Cc1ccc(o1)C ACT06577 [0,0,0,0,0,0|1,0,3]=4 8 B6R1.2 C1C=CCC1N ACT10576 [1,0,0,0,0,0|2,0,1]=4 9 B6R1.2 C1CNC(=S)N1 ACT05417 [1,0,0,0,0,0|2,1,0]=4 10 B6R1.2 C1CNC[C@@H]1N ACT06688 [1,0,0,0,0,0|3,0,0]=4 11 B6R1.2 C1CNC[C@@H]1O ACT01716 [1,0,0,0,0,0|3,0,0]=4 12 B6R1.2 C1CNC[C@H]1N ACT04905 [1,0,0,0,0,0|3,0,0]=4 13 B6R1.2 C1CNC[C@H]1O ACT00442 [1,0,0,0,0,0|3,0,0]=4 14 B6R1.2 C1COC[C@@H]1O ACT10453 [1,0,0,0,0,0|3,0,0]=4 15 B6R1.2 C1COC[C@H]1N ACT06806 [1,0,0,0,0,0|3,0,0]=4 16 B6R1.2 C1COC[C@H]1O ACT05256 [1,0,0,0,0,0|3,0,0]=4 17 B6R1.2 C[C@@H]1CCNC1 ACT09361 [1,0,0,0,0,0|2,0,0]=3 18 B6R1.2 C[C@H]1CCCN1 ACT06587 [1,0,0,0,0,0|1,0,1]=3 19 B6R1.2 C[C@H]1CCNC1 ACT11957 [1,0,0,0,0,0|2,0,0]=3 20 B8R1.1 C1CC(=O)N[C@@H]1CO ACT04172 [0,1,0,0,0,0|1,0,0]=2 21 B8R1.1 C1CC(=O)N[C@H]1CO ACT04367 [0,1,0,0,0,0|1,0,0]=2 22 B8R1.1 Cc1ccc(o1)C=O ACT06515 [0,1,0,0,0,0|0,0,3]=4 23 B8R1.18 C1[C@H](C(=O)OC1=O)N ACT04893 [0,1,0,0,0,0|1,0,1]=3 24 B8R1.18 CC1CC(=O)NC1=O ACT09858 [0,1,0,0,0,0|2,0,1]=4 25 B8R1.18 Cc1c(oc(=O)o1)C ACT08015 [0,1,0,0,0,0|1,0,2]=4 26 B8R1.50 C1CC(=O)N(C1=O)O ACT08453 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.1 CC#CC(=O)OC ACT09348 [0,0,1,0,0,0|2,0,1]=4 28 B6R0.1 CCCC(=O)SC ACT06405 [0,0,1,0,0,0|2,0,0]=3 29 B6R0.1 CCOC(=O)C#C ACT08916 [0,0,1,0,0,0|0,0,2]=3 30 B6R0.1 CCOC(=O)CBr ACT01957 [0,0,1,0,0,0|1,0,0]=2 31 B6R0.1 CCOC(=O)CN ACT03311 [0,0,1,0,0,0|1,0,0]=2 32 B6R0.1 CNCC(=O)OC ACT07185 [0,0,1,0,0,0|3,0,0]=4 33 B6R0.1 COC(=O)CCN ACT07866 [0,0,1,0,0,0|3,0,0]=4 34 B6R0.2 CC(C)NC(C)C ACT04717 [0,0,1,0,0,0|2,0,1]=4 35 B6R0.2 CC(C)SC(C)C ACT06148 [0,0,1,0,0,0|1,1,1]=4 36 B6R0.2 C[C@@H](CC(=O)O)N ACT02393 [0,0,1,0,0,0|3,0,0]=4 37 B6R0.2 C[C@@H](CC(=O)O)N ACT09644 [0,0,1,0,0,0|3,0,0]=4 38 B6R0.2 C[C@H](CC(=O)O)N ACT05190 [0,0,1,0,0,0|3,0,0]=4 39 B6R0.4 C(CC(=O)O)CN ACT11886 [0,0,1,0,0,0|1,0,0]=2 40 B6R0.4 C(C[N+](=O)[O-])CO ACT03952 [0,0,1,0,0,0|2,0,1]=4 41 B6R0.4 C(\C=C\C(=O)O)Cl ACT11965 [0,0,1,0,0,0|1,0,2]=4 42 B6R0.4 CC(=O)CCCO ACT07203 [0,0,1,0,0,0|2,0,0]=3 43 B6R0.4 CC(=O)NCCCl ACT10150 [0,0,1,0,0,0|3,0,0]=4 44 B6R0.4 CC(C)CON=O ACT08297 [0,0,1,0,0,0|3,0,0]=4 45 B6R0.4 CCCSC(=O)C ACT06394 [0,0,1,0,0,0|2,0,0]=3 46 B8R1.3 C1CC(=O)NCC1O ACT09193 [0,0,0,0,0,1|2,0,0]=3 47 B8R1.3 C1CC(=O)NC[C@H]1O ACT09390 [0,0,0,0,0,1|2,0,0]=3 48 B8R1.3 CN1CCC(=O)CC1 ACT04210 [0,0,0,0,0,1|2,0,0]=3 49 B8R1.4 C1C(=O)OC(=O)CS1 ACT03974 [0,0,0,0,0,1|1,0,1]=3 50 B8R1.4 C1CNC(=O)CC1O ACT02046 [0,0,0,0,0,1|2,0,0]=3 51 B8R1.4 C1CNC(=O)C[C@H]1O ACT09754 [0,0,0,0,0,1|2,0,0]=3 52 B5R0.1 C(CN)C(=O)N ACT05141 [1,0,1,0,0,0|2,0,0]=4 53 B5R0.1 C(CN)C(=O)O ACT04890 [1,0,1,0,0,0|1,0,0]=3 54 B5R0.1 CC#CC(=O)O ACT02801 [1,0,1,0,0,0|0,0,2]=4 55 B5R0.1 CC(C)CCS ACT06430 [1,0,1,0,0,0|1,1,0]=4 56 B5R0.1 CCSC(=O)C ACT06390 [1,0,1,0,0,0|0,1,0]=3 57 B5R0.1 CNCC(=O)O ACT04970 [1,0,1,0,0,0|1,0,0]=3 58 B5R0.2 C#CCCCO ACT09819 [1,0,1,0,0,0|1,0,1]=4 59 B5R0.2 C(CCO)CN ACT08231 [1,0,1,0,0,0|1,0,1]=4 60 B5R0.2 C=CCCCBr ACT10075 [1,0,1,0,0,0|2,0,0]=4 61 B5R0.2 C=CCCCO ACT03061 [1,0,1,0,0,0|1,0,0]=3 62 B5R0.2 CCCCC#C ACT10051 [1,0,1,0,0,0|1,0,1]=4 63 B5R0.2 CCSSCC ACT06136 [1,0,1,0,0,0|1,1,0]=4 64 B5R0.2 CSCCCO ACT06341 [1,0,1,0,0,0|1,0,1]=4 65 B5R0.3 CCC(C=C)O ACT06029 [1,0,1,0,0,0|2,0,0]=4 66 B5R0.3 COC(=O)C#C ACT08917 [1,0,1,0,0,0|0,0,2]=4 67 B5R0.3 COC(=O)CBr ACT01939 [1,0,1,0,0,0|1,0,0]=3 68 B5R0.3 COC(=O)CN ACT08376 [1,0,1,0,0,0|1,0,0]=3 69 B5R1.1 C1C=CCN1 ACT12011 [2,0,0,0,0,0|2,0,0]=4 70 B5R1.1 C1CCCC1 ACT08097 [2,0,0,0,0,0|1,0,1]=4 71 B5R1.1 C1CCOC1 ACT09264 [2,0,0,0,0,0|0,0,1]=3 72 B7R0.2 CC[C@H](C)CC(=O)O ACT09115 [0,1,1,0,0,0|1,0,0]=3 73 B7R0.2 C[C@H](CC(=O)OC)O ACT06831 [0,1,1,0,0,0|2,0,0]=4 74 B7R0.3 COC(=O)CCSC ACT06346 [0,1,1,0,0,0|2,0,0]=4 75 B7R0.5 CCOC(=O)C(=O)Cl ACT12045 [0,1,1,0,0,0|1,0,1]=4 76 B7R0.5 CCOC(=O)C(C)Br ACT02065 [0,1,1,0,0,0|0,0,0]=2 77 B7R0.5 CCOC(=O)C(C)Cl ACT02803 [0,1,1,0,0,0|0,0,0]=2 78 B7R0.5 CCOC(=O)C(C)N ACT08470 [0,1,1,0,0,0|0,0,0]=2 79 B7R0.5 CCOC(=O)[C@H](C)N ACT00044 [0,1,1,0,0,0|0,0,0]=2 80 B7R0.7 CCCC(C)CC=S ACT06342 [0,1,1,0,0,0|1,1,0]=4 81 B7R0.7 CCOC(=O)C#CC ACT02922 [0,1,1,0,0,0|0,0,1]=3 82 B7R0.7 CCOC(=O)CCN ACT00057 [0,1,1,0,0,0|0,0,0]=2 83 B7R0.7 CCOC(=O)CNC ACT08249 [0,1,1,0,0,0|0,0,0]=2 84 B7R0.7 CCOC(=O)C[N+]#[C-] ACT02731 [0,1,1,0,0,0|0,0,1]=3 85 B7R0.7 CCOP(OCC)Cl ACT04090 [0,1,1,0,0,0|2,0,0]=4 86 B7R0.10 CCC(C(=O)OC)Br ACT02122 [0,1,1,0,0,0|2,0,0]=4 87 B7R0.10 CC[C@H](C(=O)OC)N ACT10443 [0,1,1,0,0,0|2,0,0]=4 88 B7R0.9 CC(=O)CC(C)(C)S ACT05878 [0,1,1,0,0,0|1,0,0]=3 89 B7R0.9 CC(=O)N[Si](C)(C)C ACT08258 [0,1,1,0,0,0|1,1,0]=4 90 B7R0.9 CC(=O)O[Si](C)(C)C ACT09455 [0,1,1,0,0,0|0,1,0]=3 91 B7R0.9 CC(C)(C)CC(=O)Cl ACT06988 [0,1,1,0,0,0|2,0,0]=4 92 B7R0.9 CC(C)(C)CC(=O)O ACT06987 [0,1,1,0,0,0|2,0,0]=4 93 B7R0.16 CC(C)[C@H](C(=O)N)N ACT03147 [0,1,1,0,0,0|2,0,0]=4 94 B7R0.16 CC(C)[C@H](C(=O)O)N ACT04818 [0,1,1,0,0,0|2,0,0]=4 95 B7R0.4 C(CCN)CC(=O)O ACT10888 [0,1,1,0,0,0|0,0,0]=2 96 B7R0.4 C(CCl)OCC(=O)N ACT03751 [0,1,1,0,0,0|2,0,0]=4 97 B7R0.4 CC(=O)CCCCBr ACT03439 [0,1,1,0,0,0|1,0,0]=3 98 B7R0.4 CC(C)CCON=O ACT05198 [0,1,1,0,0,0|2,0,0]=4 99 B7R0.6 CC(=O)CCC(=O)C ACT02799 [0,1,1,0,0,0|0,0,2]=4 100 B7R0.6 CC(=O)NCC(=O)O ACT08307 [0,1,1,0,0,0|1,0,1]=4 101 B7R0.6 CN(C)CCC(=O)O ACT09593 [0,1,1,0,0,0|1,0,0]=3 102 B7R0.8 C(CN)CS(=O)(=O)O ACT07996 [0,1,1,0,0,0|2,0,0]=4 103 B7R1.1 C1CC(NC1)CO ACT09769 [1,1,0,0,0,0|1,0,1]=4 104 B7R1.1 C1CNC[C@@H]1CO ACT07264 [1,1,0,0,0,0|2,0,0]=4 105 B7R1.1 C1COCC1CO ACT09047 [1,1,0,0,0,0|2,0,0]=4 106 B7R1.1 C1C[C@@H](NC1)CO ACT04141 [1,1,0,0,0,0|1,0,1]=4 107 B7R1.1 C1C[C@H](NC1)CO ACT04140 [1,1,0,0,0,0|1,0,1]=4 108 B7R1.4 C1C(C(=O)NO1)N ACT10891 [1,1,0,0,0,0|2,0,0]=4 109 B7R1.4 C1CNC(=O)C1N ACT09401 [1,1,0,0,0,0|1,0,0]=3 110 B7R1.4 C1[C@@H](C(=O)NO1)N ACT10801 [1,1,0,0,0,0|2,0,0]=4 111 B7R1.4 C1[C@H](C(=O)NO1)N ACT04767 [1,1,0,0,0,0|2,0,0]=4 112 B7R1.4 CC1C(=O)CCO1 ACT06568 [1,1,0,0,0,0|0,0,2]=4 113 B7R1.4 CC1C(=O)CCS1 ACT06593 [1,1,0,0,0,0|2,0,0]=4 114 B7R1.14 C1CCS(=O)(=O)C1 ACT10985 [1,1,0,0,0,0|2,0,0]=4 115 B7R1.14 CC1(CCCC1)O ACT11548 [1,1,0,0,0,0|1,0,1]=4 116 B9R1.1 CCN1CCC(=O)CC1 ACT04212 [0,1,0,0,0,1|2,0,0]=4 117 B9R1.1 COC1CCC(=O)CC1 ACT04530 [0,1,0,0,0,1|1,0,0]=3 118 B9R1.69 CC1CN(CCC1=O)C ACT05241 [0,1,0,0,0,1|2,0,0]=4 119 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O ACT09037 [0,2,0,0,0,0|1,0,1]=4 120 B7R1.3 C1CNCCC1=O ACT02123 [0,0,1,1,0,0|2,0,0]=4 121 B7R1.3 C1COCCC1=O ACT01867 [0,0,1,1,0,0|2,0,0]=4 122 B7R1.18 C1CN[C@@H]1C(=O)O ACT01799 [0,0,1,1,0,0|1,0,0]=3 123 B9R2.39 C1C2C=CC1NC2=O ACT05289 [0,0,0,1,0,1|1,0,1]=4 124 B9R2.68 C1CC2CNCC1O2 ACT09837 [0,0,0,1,0,1|1,0,1]=4 125 B5R0.5 CC(=O)C(=O)C ACT06100 [0,0,1,0,1,0|1,0,1]=4 126 B5R0.5 CC(C(=O)Br)Br ACT03417 [0,0,1,0,1,0|2,0,0]=4 127 B5R0.5 CC(C(=O)C)O ACT06054 [0,0,1,0,1,0|1,0,0]=3 128 B5R0.5 CC(C(=O)C)S ACT06274 [0,0,1,0,1,0|1,0,0]=3 129 B5R0.5 CC(C(=O)O)Br ACT01974 [0,0,1,0,1,0|2,0,0]=4 130 B5R0.5 CC(C(=O)O)N ACT07794 [0,0,1,0,1,0|2,0,0]=4 131 B5R0.5 CC(C)C(=O)Cl ACT05625 [0,0,1,0,1,0|1,0,0]=3 132 B5R0.5 C[C@@H](C(=O)N)N ACT03139 [0,0,1,0,1,0|2,0,0]=4 133 B5R0.5 C[C@H](C(=O)N)N ACT10902 [0,0,1,0,1,0|2,0,0]=4 134 B5R0.5 C[C@H](C(=O)O)N ACT07928 [0,0,1,0,1,0|2,0,0]=4 135 B9R1.49 CN1CCC(=O)NCC1 ACT09833 [0,0,0,0,0,2|2,0,0]=4