0 B7R1.3 C1CC(CNC1)O ACT02059 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.3 C1CC(COC1)O ACT09202 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.3 C1CC=CC(C1)O ACT10372 [0,0,0,0,0,0|1,0,2]=3 3 B7R1.3 C1CCN(CC1)N ACT09283 [0,0,0,0,0,0|1,0,0]=1 4 B7R1.3 C1CCN(CC1)O ACT09755 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.3 C1CNCCC1=O ACT02123 [0,0,0,0,0,0|2,0,1]=3 6 B7R1.3 C1CNCCC1Br ACT08302 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.3 C1CNCCC1N ACT05214 [0,0,0,0,0,0|1,0,0]=1 8 B7R1.3 C1CNCCC1N ACT09600 [0,0,0,0,0,0|1,0,0]=1 9 B7R1.3 C1CNCCC1O ACT02058 [0,0,0,0,0,0|2,0,0]=2 10 B7R1.3 C1COCCC1=O ACT01867 [0,0,0,0,0,0|2,0,1]=3 11 B7R1.3 C1COCCC1O ACT01892 [0,0,0,0,0,0|2,0,0]=2 12 B7R1.3 C1C[C@@H](CNC1)O ACT02045 [0,0,0,0,0,0|2,0,0]=2 13 B7R1.3 C1C[C@H](CNC1)N ACT04891 [0,0,0,0,0,0|1,0,0]=1 14 B7R1.3 C1C[C@H](CNC1)O ACT02079 [0,0,0,0,0,0|2,0,0]=2 15 B7R1.3 C[C@@H]1CCCCN1 ACT09105 [0,0,0,0,0,0|2,0,0]=2 16 B7R1.3 C[C@@H]1CNCCN1 ACT11136 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.3 C[C@H]1CCCCN1 ACT09533 [0,0,0,0,0,0|2,0,0]=2 18 B6R1.1 C1COCCO1 ACT10984 [1,0,0,0,0,0|2,0,0]=3 19 B6R1.1 C1COCCO1 ACT10984 [1,0,0,0,0,0|2,0,0]=3 20 B8R1.2 C1CC(CNC1)CO ACT04176 [0,1,0,0,0,0|2,0,0]=3 21 B8R1.2 C1CCC(CC1)CO ACT10090 [0,1,0,0,0,0|1,0,0]=2 22 B8R1.2 C1CCNC(C1)CO ACT02103 [0,1,0,0,0,0|2,0,0]=3 23 B8R1.2 C1CCN[C@@H](C1)CO ACT09705 [0,1,0,0,0,0|2,0,0]=3 24 B8R1.2 C1CCN[C@H](C1)CO ACT09534 [0,1,0,0,0,0|2,0,0]=3 25 B8R1.2 C1CN(CCN1)C=O ACT08513 [0,1,0,0,0,0|3,0,0]=4 26 B8R1.2 C1CNCCC1C#N ACT09389 [0,1,0,0,0,0|1,0,1]=3 27 B8R1.2 C1CNCCC1CO ACT02060 [0,1,0,0,0,0|2,0,0]=3 28 B8R1.2 C1COCC(N1)CO ACT07199 [0,1,0,0,0,0|3,0,0]=4 29 B8R1.2 C1COCCC1C=O ACT10828 [0,1,0,0,0,0|2,0,0]=3 30 B8R1.2 C1COCCC1CN ACT01866 [0,1,0,0,0,0|1,0,0]=2 31 B8R1.2 C1COCCC1CO ACT04637 [0,1,0,0,0,0|2,0,0]=3 32 B8R1.2 CNC1CCOCC1 ACT10530 [0,1,0,0,0,0|1,0,0]=2 33 B8R1.3 C1C(SCC(S1)O)O ACT06456 [0,1,0,0,0,0|3,0,0]=4 34 B8R1.3 C1CC(=O)NCC1O ACT09193 [0,1,0,0,0,0|2,0,1]=4 35 B8R1.3 C1CC(=O)NC[C@H]1O ACT09390 [0,1,0,0,0,0|2,0,1]=4 36 B8R1.3 C1[C@@H](CC[C@H](C1)N)N ACT02728 [0,1,0,0,0,0|0,0,0]=1 37 B8R1.3 CN1CCC(=O)CC1 ACT04210 [0,1,0,0,0,0|2,0,1]=4 38 B8R1.3 CN1CCC(CC1)Cl ACT02144 [0,1,0,0,0,0|2,0,0]=3 39 B8R1.3 CN1CCC(CC1)Cl ACT04219 [0,1,0,0,0,0|2,0,0]=3 40 B8R1.3 CN1CCC(CC1)O ACT04216 [0,1,0,0,0,0|2,0,0]=3 41 B8R1.4 C1CNC(=O)CC1O ACT02046 [0,1,0,0,0,0|2,0,1]=4 42 B8R1.4 C1CNC(=O)C[C@H]1O ACT09754 [0,1,0,0,0,0|2,0,1]=4 43 B8R1.5 C1CCC(C(C1)N)N ACT11641 [0,1,0,0,0,0|0,0,0]=1 44 B8R1.5 C1CC[C@@H]([C@H](C1)N)N ACT02838 [0,1,0,0,0,0|0,0,0]=1 45 B8R1.5 C1CC[C@H]([C@@H](C1)N)N ACT03415 [0,1,0,0,0,0|0,0,0]=1 46 B8R1.5 C1CC[C@H]([C@@H](C1)N)N ACT11629 [0,1,0,0,0,0|0,0,0]=1 47 B8R1.5 C1CC[C@H]([C@@H](C1)N)N ACT11642 [0,1,0,0,0,0|0,0,0]=1 48 B8R1.5 C1C[C@@H](C(=O)NC1)N ACT09712 [0,1,0,0,0,0|1,0,1]=3 49 B8R1.5 CC1CNCCC1=O ACT09743 [0,1,0,0,0,0|2,0,1]=4 50 B8R1.72 C1CS(=O)(=O)CCN1 ACT01985 [0,1,0,0,0,0|3,0,0]=4 51 B8R1.72 CC1(CCCCC1)O ACT11541 [0,1,0,0,0,0|1,0,0]=2 52 B6R0.1 CCCC(=O)SC ACT06405 [0,0,1,0,0,0|2,0,1]=4 53 B6R0.1 CCCC(C#C)O ACT07175 [0,0,1,0,0,0|1,0,2]=4 54 B6R0.1 CCCC(C=C)O ACT06034 [0,0,1,0,0,0|1,0,2]=4 55 B6R0.1 CNCC(CO)O ACT08072 [0,0,1,0,0,0|3,0,0]=4 56 B6R0.4 CC(=O)CCCO ACT07203 [0,0,1,0,0,0|2,0,1]=4 57 B6R0.4 CCCSC(=O)C ACT06394 [0,0,1,0,0,0|2,0,1]=4 58 B6R0.6 C(CCl)NCCCl ACT03764 [0,0,1,0,0,0|3,0,0]=4 59 B6R0.6 C=CCCCCCl ACT10617 [0,0,1,0,0,0|1,0,2]=4 60 B6R0.6 C=CCCCCO ACT10087 [0,0,1,0,0,0|1,0,2]=4 61 B6R0.6 CNCCCNC ACT10138 [0,0,1,0,0,0|3,0,0]=4 62 B6R1.2 C1C=CCC1N ACT10576 [0,0,0,0,1,0|0,0,2]=3 63 B6R1.2 C1CNC[C@@H]1N ACT06688 [0,0,0,0,1,0|1,0,0]=2 64 B6R1.2 C1CNC[C@@H]1O ACT01716 [0,0,0,0,1,0|2,0,0]=3 65 B6R1.2 C1CNC[C@H]1N ACT04905 [0,0,0,0,1,0|1,0,0]=2 66 B6R1.2 C1CNC[C@H]1O ACT00442 [0,0,0,0,1,0|2,0,0]=3 67 B6R1.2 C1COC[C@@H]1O ACT10453 [0,0,0,0,1,0|2,0,0]=3 68 B6R1.2 C1COC[C@H]1N ACT06806 [0,0,0,0,1,0|1,0,0]=2 69 B6R1.2 C1COC[C@H]1O ACT05256 [0,0,0,0,1,0|2,0,0]=3 70 B6R1.2 C[C@@H]1CCNC1 ACT09361 [0,0,0,0,1,0|2,0,0]=3 71 B6R1.2 C[C@H]1CCCN1 ACT06587 [0,0,0,0,1,0|2,0,0]=3 72 B6R1.2 C[C@H]1CCNC1 ACT11957 [0,0,0,0,1,0|2,0,0]=3 73 B8R1.22 C1CCNCC(C1)N ACT07491 [0,0,0,0,0,1|0,0,0]=1 74 B8R1.22 CN1CCCNCC1 ACT09728 [0,0,0,0,0,1|2,0,0]=3 75 B5R0.1 CC(C)CCS ACT06430 [1,0,1,0,0,0|2,0,0]=4 76 B5R0.2 C(CCO)CN ACT08231 [1,0,1,0,0,0|1,0,0]=3 77 B5R0.2 CCCCC#C ACT10051 [1,0,1,0,0,0|0,0,2]=4 78 B5R0.2 CCCSSC ACT06210 [1,0,1,0,0,0|2,0,0]=4 79 B5R0.2 CCSSCC ACT06136 [1,0,1,0,0,0|2,0,0]=4 80 B5R0.2 CNCCNC ACT07313 [1,0,1,0,0,0|2,0,0]=4 81 B5R0.2 CSCCCO ACT06341 [1,0,1,0,0,0|2,0,0]=4 82 B7R0.2 CC(C)C[C@@H](CO)N ACT04160 [0,1,1,0,0,0|1,0,0]=3 83 B7R0.2 CC(C)C[C@H](CO)N ACT04161 [0,1,1,0,0,0|1,0,0]=3 84 B7R0.3 CSCC[C@@H](CO)N ACT04170 [0,1,1,0,0,0|1,0,0]=3 85 B7R0.3 CSCC[C@H](CO)N ACT03140 [0,1,1,0,0,0|1,0,0]=3 86 B7R0.7 CCCC(C)CC=S ACT06342 [0,1,1,0,0,0|1,0,1]=4 87 B7R0.10 CC[C@H](C(=O)OC)N ACT10443 [0,1,1,0,0,0|1,0,1]=4 88 B7R0.10 CC[C@H](C)[C@@H](CO)N ACT04158 [0,1,1,0,0,0|1,0,0]=3 89 B7R0.4 CC(=O)CCCCBr ACT03439 [0,1,1,0,0,0|1,0,1]=4 90 B7R0.1 C#CCCCCCO ACT09966 [0,1,1,0,0,0|1,0,1]=4 91 B7R0.1 C(CCCO)CCN ACT05269 [0,1,1,0,0,0|0,0,0]=2 92 B7R0.1 C(CCCS)CCS ACT06276 [0,1,1,0,0,0|1,0,0]=3 93 B7R0.1 CCCSSCCC ACT06139 [0,1,1,0,0,0|2,0,0]=4 94 B7R1.1 C1CC(NC1)CO ACT09769 [0,1,0,0,1,0|2,0,0]=4 95 B7R1.1 C1CNC[C@@H]1CO ACT07264 [0,1,0,0,1,0|2,0,0]=4 96 B7R1.1 C1COCC1CO ACT09047 [0,1,0,0,1,0|2,0,0]=4 97 B7R1.1 C1C[C@@H](NC1)C#N ACT10038 [0,1,0,0,1,0|1,0,1]=4 98 B7R1.1 C1C[C@@H](NC1)CO ACT04141 [0,1,0,0,1,0|2,0,0]=4 99 B7R1.1 C1C[C@H](NC1)CO ACT04140 [0,1,0,0,1,0|2,0,0]=4 100 B7R1.2 CN1CCC(C1)O ACT03466 [0,1,0,0,1,0|2,0,0]=4 101 B7R1.2 CN1CC[C@@H](C1)N ACT10431 [0,1,0,0,1,0|1,0,0]=3 102 B7R1.2 CN1CC[C@@H](C1)O ACT05086 [0,1,0,0,1,0|2,0,0]=4 103 B7R1.2 CN1CC[C@H](C1)O ACT05087 [0,1,0,0,1,0|2,0,0]=4 104 B7R1.4 C1CNC(=O)C1N ACT09401 [0,1,0,0,1,0|1,0,1]=4 105 B7R1.14 C1CCS(=O)(=O)C1 ACT10985 [0,1,0,0,1,0|2,0,0]=4 106 B7R1.14 CC1(CCCC1)O ACT11548 [0,1,0,0,1,0|1,0,0]=3 107 B9R1.5 C1CCNC(=O)C(C1)N ACT01818 [0,1,0,0,0,1|0,0,1]=3 108 B9R1.5 C1CCNC(=O)[C@H](C1)N ACT05209 [0,1,0,0,0,1|0,0,1]=3 109 B9R1.5 CN1CCCCCC1=O ACT05308 [0,1,0,0,0,1|1,0,1]=4 110 B9R1.1 CN1CCC(CC1)CN ACT10113 [0,2,0,0,0,0|1,0,0]=3 111 B9R1.1 CN1CCC(CC1)CO ACT04180 [0,2,0,0,0,0|2,0,0]=4 112 B9R1.1 COC1CCC(=O)CC1 ACT04530 [0,2,0,0,0,0|1,0,1]=4 113 B9R1.2 CN1CCCC(C1)CO ACT04179 [0,2,0,0,0,0|2,0,0]=4 114 B9R1.6 C1CC(CNC1)C(=O)N ACT04813 [0,2,0,0,0,0|1,0,0]=3 115 B9R1.6 C1CC(CNC1)C(=O)O ACT02108 [0,2,0,0,0,0|2,0,0]=4 116 B9R1.6 C1CCNC(C1)C(=O)N ACT04811 [0,2,0,0,0,0|1,0,0]=3 117 B9R1.6 C1CCNC(C1)C(=O)O ACT04791 [0,2,0,0,0,0|2,0,0]=4 118 B9R1.6 C1CCNC(C1)C(=O)O ACT09684 [0,2,0,0,0,0|2,0,0]=4 119 B9R1.6 C1CCN[C@@H](C1)C(=O)O ACT07825 [0,2,0,0,0,0|2,0,0]=4 120 B9R1.6 C1CCN[C@@H](C1)C(=O)O ACT12035 [0,2,0,0,0,0|2,0,0]=4 121 B9R1.6 C1CCN[C@H](C1)C(=O)O ACT07350 [0,2,0,0,0,0|2,0,0]=4 122 B9R1.6 C1CNCCC1C(=O)N ACT04822 [0,2,0,0,0,0|1,0,0]=3 123 B9R1.6 C1CNCCC1C(=O)O ACT02073 [0,2,0,0,0,0|2,0,0]=4 124 B9R1.6 C1COCCC1C(=O)Cl ACT01885 [0,2,0,0,0,0|2,0,0]=4 125 B9R1.6 C1COCCC1C(=O)O ACT04577 [0,2,0,0,0,0|2,0,0]=4 126 B9R1.6 C1C[C@@H](CNC1)C(=O)O ACT05132 [0,2,0,0,0,0|2,0,0]=4 127 B9R1.6 C1C[C@H](CNC1)C(=O)O ACT11798 [0,2,0,0,0,0|2,0,0]=4 128 B9R1.6 CC(=O)C1CCOCC1 ACT08411 [0,2,0,0,0,0|2,0,0]=4 129 B9R1.6 CN(C)C1CCNCC1 ACT09758 [0,2,0,0,0,0|1,0,0]=3 130 B9R1.8 C1CCN(CC1)CCCl ACT05803 [0,2,0,0,0,0|2,0,0]=4 131 B9R1.8 C1CCN[C@@H](C1)CCO ACT02082 [0,2,0,0,0,0|2,0,0]=4 132 B9R1.8 C1COCCC1CCO ACT09747 [0,2,0,0,0,0|2,0,0]=4 133 B9R1.15 CN1CCCCC1CCl ACT09451 [0,2,0,0,0,0|2,0,0]=4 134 B9R1.15 CN1CCCCC1CO ACT04178 [0,2,0,0,0,0|2,0,0]=4 135 B9R1.15 CN1CCCC[C@@H]1CO ACT10048 [0,2,0,0,0,0|2,0,0]=4 136 B9R1.15 CN1CCCC[C@H]1CO ACT08347 [0,2,0,0,0,0|2,0,0]=4 137 B9R1.69 C1[C@@H]([C@@H](COC1O)O)O ACT11733 [0,2,0,0,0,0|2,0,0]=4 138 B9R2.68 C1CC2CNCC1O2 ACT09837 [0,0,0,1,0,1|1,0,0]=3 139 B5R1.1 C1CCCC1 ACT08097 [1,0,0,0,1,0|0,0,0]=2 140 B5R1.1 C1CCOC1 ACT09264 [1,0,0,0,1,0|1,0,0]=3 141 B5R1.2 C1C(CN1)O ACT02769 [0,0,0,0,2,0|2,0,0]=4