0 B8R1.7 C1C=C[C@H](N1)C(=O)O ACT02240 [0,0,0,0,0,0|0,0,2]=2 1 B8R1.7 C1COC=C1C(=O)O ACT10735 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.7 C1COC[C@H]1C(=O)O ACT09087 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.7 C1C[C@@H](NC1)C(=O)N ACT05031 [0,0,0,0,0,0|1,0,0]=1 4 B8R1.7 C1C[C@@H](NC1)C(=O)O ACT05623 [0,0,0,0,0,0|0,0,0]=0 5 B8R1.7 C1C[C@H](NC1)C(=O)N ACT05030 [0,0,0,0,0,0|1,0,0]=1 6 B7R1.1 C1CC(NC1)CO ACT09769 [1,0,0,0,0,0|0,0,1]=2 7 B7R1.1 C1CNC[C@@H]1CO ACT07264 [1,0,0,0,0,0|2,0,1]=4 8 B7R1.1 C1COCC1CO ACT09047 [1,0,0,0,0,0|2,0,1]=4 9 B7R1.1 C1C[C@@H](NC1)C#N ACT10038 [1,0,0,0,0,0|1,0,1]=3 10 B7R1.1 C1C[C@@H](NC1)CO ACT04141 [1,0,0,0,0,0|0,0,1]=2 11 B7R1.1 C1C[C@H](NC1)CO ACT04140 [1,0,0,0,0,0|0,0,1]=2 12 B9R1.11 COC(=O)C1CCCN1 ACT02244 [0,1,0,0,0,0|0,0,0]=1 13 B9R1.11 COC(=O)[C@H]1CCCN1 ACT08555 [0,1,0,0,0,0|0,0,0]=1 14 B9R1.35 C1C(N=C(S1)N)C(=O)O ACT05555 [0,1,0,0,0,0|1,0,2]=4 15 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O ACT09037 [0,1,0,0,0,0|0,0,1]=2 16 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O ACT02236 [0,1,0,0,0,0|0,0,0]=1 17 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O ACT08225 [0,1,0,0,0,0|0,0,0]=1 18 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O ACT02252 [0,1,0,0,0,0|0,0,0]=1 19 B9R1.163 C1COCC1(C(=O)O)N ACT04474 [0,1,0,0,0,0|2,0,0]=3 20 B7R0.4 C(CCN)CC(=O)O ACT10888 [0,0,1,0,0,0|0,0,0]=1 21 B7R0.4 C(CCl)OCC(=O)N ACT03751 [0,0,1,0,0,0|3,0,0]=4 22 B7R0.4 CC(=O)CCCCBr ACT03439 [0,0,1,0,0,0|2,0,0]=3 23 B7R0.5 C(CBr)C(C(=O)O)Br ACT09951 [0,0,1,0,0,0|2,0,0]=3 24 B7R0.5 C(CN)C(C(=O)O)O ACT11882 [0,0,1,0,0,0|2,0,0]=3 25 B7R0.5 C(CN)[C@@H](C(=O)O)O ACT02354 [0,0,1,0,0,0|2,0,0]=3 26 B7R0.5 C=CC[C@@H](C(=O)O)N ACT02836 [0,0,1,0,0,0|0,0,2]=3 27 B7R0.15 CNC(CS)C(=O)O ACT09439 [0,0,1,0,0,0|1,0,0]=2 28 B9R2.39 C1C2C=CC1NC2=O ACT05289 [0,0,0,1,0,0|2,0,1]=4 29 B7R1.18 C1CN[C@@H]1C(=O)O ACT01799 [0,0,0,0,1,0|0,0,0]=1 30 B9R1.6 C1CC(CC=C1)C(=O)O ACT12046 [0,0,0,0,0,1|1,0,1]=3 31 B9R1.6 C1CC(CNC1)C(=O)N ACT04813 [0,0,0,0,0,1|1,0,0]=2 32 B9R1.6 C1CC(CNC1)C(=O)O ACT02108 [0,0,0,0,0,1|0,0,0]=1 33 B9R1.6 C1CCNC(C1)C(=O)N ACT04811 [0,0,0,0,0,1|1,0,0]=2 34 B9R1.6 C1CCNC(C1)C(=O)O ACT04791 [0,0,0,0,0,1|0,0,0]=1 35 B9R1.6 C1CCNC(C1)C(=O)O ACT09684 [0,0,0,0,0,1|0,0,0]=1 36 B9R1.6 C1CCN[C@@H](C1)C(=O)O ACT07825 [0,0,0,0,0,1|0,0,0]=1 37 B9R1.6 C1CCN[C@@H](C1)C(=O)O ACT12035 [0,0,0,0,0,1|0,0,0]=1 38 B9R1.6 C1CCN[C@H](C1)C(=O)O ACT07350 [0,0,0,0,0,1|0,0,0]=1 39 B9R1.6 C1CNC(CN1)C(=O)O ACT02609 [0,0,0,0,0,1|0,0,0]=1 40 B9R1.6 C1CNC(CN1)C(=O)O ACT09465 [0,0,0,0,0,1|0,0,0]=1 41 B9R1.6 C1CNCCC1C(=O)N ACT04822 [0,0,0,0,0,1|2,0,0]=3 42 B9R1.6 C1CNCCC1C(=O)O ACT02073 [0,0,0,0,0,1|1,0,0]=2 43 B9R1.6 C1CN[C@@H](CN1)C(=O)O ACT02175 [0,0,0,0,0,1|0,0,0]=1 44 B9R1.6 C1CN[C@@H](CN1)C(=O)O ACT04805 [0,0,0,0,0,1|0,0,0]=1 45 B9R1.6 C1CN[C@H](CN1)C(=O)O ACT02151 [0,0,0,0,0,1|0,0,0]=1 46 B9R1.6 C1CN[C@H](CN1)C(=O)O ACT04806 [0,0,0,0,0,1|0,0,0]=1 47 B9R1.6 C1COCCC1C(=O)Cl ACT01885 [0,0,0,0,0,1|2,0,0]=3 48 B9R1.6 C1COCCC1C(=O)O ACT04577 [0,0,0,0,0,1|1,0,0]=2 49 B9R1.6 C1C[C@@H](CNC1)C(=O)O ACT05132 [0,0,0,0,0,1|0,0,0]=1 50 B9R1.6 C1C[C@H](CNC1)C(=O)O ACT11798 [0,0,0,0,0,1|0,0,0]=1 51 B9R1.6 CC(=O)C1CCOCC1 ACT08411 [0,0,0,0,0,1|2,0,0]=3 52 B9R1.6 CC(=O)N1CCNCC1 ACT08483 [0,0,0,0,0,1|3,0,0]=4 53 B6R0.4 C(CC(=O)O)CN ACT11886 [1,0,1,0,0,0|0,0,0]=2 54 B6R0.4 CC(=O)CCCO ACT07203 [1,0,1,0,0,0|2,0,0]=4 55 B6R0.4 CC(=O)NCCCl ACT10150 [1,0,1,0,0,0|2,0,0]=4 56 B6R0.4 CCCSC(=O)C ACT06394 [1,0,1,0,0,0|2,0,0]=4 57 B6R0.6 C=CCCCCCl ACT10617 [1,0,1,0,0,0|2,0,0]=4 58 B6R0.6 C=CCCCCO ACT10087 [1,0,1,0,0,0|2,0,0]=4 59 B6R0.6 CCC\C=C\C=O ACT06041 [1,0,1,0,0,0|1,0,1]=4 60 B6R0.1 CCCC(C=C)O ACT06034 [1,0,1,0,0,0|2,0,0]=4 61 B6R0.1 CC\C=C(/C)\C=O ACT06055 [1,0,1,0,0,0|1,0,1]=4 62 B6R0.3 C(C(C(=O)O)N)O ACT07798 [1,0,1,0,0,0|1,0,0]=3 63 B6R0.3 C([C@@H](C(=O)N)N)O ACT05215 [1,0,1,0,0,0|2,0,0]=4 64 B6R0.3 C([C@@H](C(=O)O)N)O ACT08366 [1,0,1,0,0,0|1,0,0]=3 65 B6R0.3 CC(CN)C(=O)O ACT09241 [1,0,1,0,0,0|1,0,0]=3 66 B6R0.3 CCC(C(=O)C)S ACT06317 [1,0,1,0,0,0|2,0,0]=4 67 B6R0.3 CCC(C(=O)O)Br ACT02003 [1,0,1,0,0,0|1,0,0]=3 68 B6R0.3 CC[C@@H](C(=O)O)N ACT03155 [1,0,1,0,0,0|0,0,0]=2 69 B6R1.2 C1CNC[C@@H]1O ACT01716 [2,0,0,0,0,0|2,0,0]=4 70 B6R1.2 C1CNC[C@H]1O ACT00442 [2,0,0,0,0,0|2,0,0]=4 71 B6R1.2 C1COC[C@@H]1O ACT10453 [2,0,0,0,0,0|2,0,0]=4 72 B6R1.2 C1COC[C@H]1O ACT05256 [2,0,0,0,0,0|2,0,0]=4 73 B6R1.2 C[C@H]1CCCN1 ACT06587 [2,0,0,0,0,0|0,0,1]=3 74 B8R0.6 C(CCN)C[C@@H](CO)N ACT07913 [0,1,1,0,0,0|1,0,1]=4 75 B8R0.6 COCCCC(=O)OC ACT03831 [0,1,1,0,0,0|2,0,0]=4 76 B8R0.7 C#CCCCCC(=O)O ACT09524 [0,1,1,0,0,0|1,0,0]=3 77 B8R0.8 CCCCC(C(=O)O)Br ACT02064 [0,1,1,0,0,0|1,0,0]=3 78 B8R0.9 C(C(=O)NCC(=O)O)N ACT05216 [0,1,1,0,0,0|1,0,1]=4 79 B8R0.28 CN(C)CCCC(=O)O ACT10895 [0,1,1,0,0,0|2,0,0]=4 80 B8R0.2 C[C@H]([C@@H](C(=O)O)N)OC ACT05274 [0,1,1,0,0,0|1,0,0]=3 81 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N ACT11890 [0,1,1,0,0,0|1,0,1]=4 82 B8R0.23 C([C@H](C(=O)O)N)C(=O)O ACT03145 [0,1,1,0,0,0|1,0,1]=4 83 B8R0.23 CC(C(=O)O)NC(=O)C ACT11766 [0,1,1,0,0,0|0,0,1]=3 84 B8R0.23 CC(C)C[C@@H](C(=O)N)N ACT07151 [0,1,1,0,0,0|1,0,0]=3 85 B8R0.23 C[C@@H](C(=O)O)NC(=O)C ACT00056 [0,1,1,0,0,0|0,0,1]=3 86 B8R0.36 CCC(C)(CC)C(=O)O ACT06838 [0,1,1,0,0,0|1,0,0]=3 87 B8R1.1 C1CC(=O)N[C@@H]1CO ACT04172 [1,1,0,0,0,0|0,0,2]=4 88 B8R1.1 C1CC(=O)N[C@H]1CO ACT04367 [1,1,0,0,0,0|0,0,2]=4 89 B8R1.8 C1CC(NC1)CCO ACT09194 [1,1,0,0,0,0|0,0,1]=3 90 B8R1.11 CN1CCCC1CO ACT09599 [1,1,0,0,0,0|0,0,1]=3 91 B8R1.11 CN1CCC[C@@H]1CO ACT10747 [1,1,0,0,0,0|0,0,1]=3 92 B8R1.11 CN1CCC[C@H]1CO ACT09566 [1,1,0,0,0,0|0,0,1]=3 93 B8R1.23 C1C(CC1=O)C(=O)O ACT02726 [0,1,0,0,1,0|0,0,1]=3 94 B8R1.78 C1CC(C1)(C(=O)O)N ACT10736 [0,1,0,0,1,0|0,0,0]=2 95 B10R1.13 C1[C@@H](CC[C@@H](C1)N)C(=O)O ACT11996 [0,1,0,0,0,1|1,0,0]=3 96 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O ACT02784 [0,1,0,0,0,1|1,0,0]=3 97 B10R1.13 CN1CCC(CC1)C(=O)O ACT02100 [0,1,0,0,0,1|1,0,0]=3 98 B10R1.15 COC(=O)C1CCCCN1 ACT04827 [0,1,0,0,0,1|0,0,0]=2 99 B10R1.15 COC(=O)C1CCCNC1 ACT02109 [0,1,0,0,0,1|0,0,0]=2 100 B10R1.15 COC(=O)C1CCNCC1 ACT02120 [0,1,0,0,0,1|1,0,0]=3 101 B10R1.15 COC(=O)C1CCNCC1 ACT10169 [0,1,0,0,0,1|1,0,0]=3 102 B10R1.15 COC(=O)N1CCNCC1 ACT11939 [0,1,0,0,0,1|2,0,0]=4 103 B10R1.15 COC(=O)[C@@H]1CCCNC1 ACT04198 [0,1,0,0,0,1|0,0,0]=2 104 B10R1.15 COC(=O)[C@H]1CCCCN1 ACT09726 [0,1,0,0,0,1|0,0,0]=2 105 B10R1.15 COC(=O)[C@H]1CNCCN1 ACT09970 [0,1,0,0,0,1|0,0,0]=2 106 B10R1.61 C1COC[C@@H]([C@@H]1C(=O)O)N ACT07935 [0,1,0,0,0,1|1,0,0]=3 107 B10R1.113 C1CC(NC(=O)C1)C(=O)O ACT09643 [0,1,0,0,0,1|0,0,0]=2 108 B10R1.113 C1C[C@@H](NC(=O)C1)C(=O)O ACT10129 [0,1,0,0,0,1|0,0,0]=2 109 B10R1.113 C1C[C@H](NC(=O)C1)C(=O)O ACT09572 [0,1,0,0,0,1|0,0,0]=2 110 B10R1.27 COC(=O)C[C@@H]1CCNC1 ACT05418 [0,1,0,0,0,1|2,0,0]=4 111 B10R1.27 COC(=O)C[C@H]1CCNC1 ACT05369 [0,1,0,0,0,1|2,0,0]=4 112 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 ACT08191 [0,2,0,0,0,0|0,0,1]=3 113 B10R1.14 COC(=O)[C@@H]1C[C@H](CN1)O ACT02237 [0,2,0,0,0,0|0,0,0]=2 114 B10R1.149 COC(=O)C1C(=O)CCS1 ACT04513 [0,2,0,0,0,0|1,0,1]=4 115 B10R1.359 C1CS(=O)(=O)NC1C(=O)O ACT05048 [0,2,0,0,0,0|1,0,0]=3 116 B8R1.5 C1C[C@@H](C(=O)NC1)N ACT09712 [0,0,1,1,0,0|1,0,0]=3 117 B8R1.18 C1[C@H](C(=O)OC1=O)N ACT04893 [0,0,1,1,0,0|1,0,1]=4 118 B6R1.6 C1CC(C1)CBr ACT03403 [1,0,0,0,1,0|1,0,1]=4 119 B6R1.6 C1CC(C1)CO ACT03329 [1,0,0,0,1,0|0,0,1]=3 120 B6R1.11 B(C1CC1)(O)O ACT02189 [0,0,0,0,2,0|1,0,1]=4 121 B8R1.2 C1CC(CNC1)CO ACT04176 [1,0,0,0,0,1|0,0,1]=3 122 B8R1.2 C1CCC(CC1)CO ACT10090 [1,0,0,0,0,1|1,0,1]=4 123 B8R1.2 C1CCNC(C1)CO ACT02103 [1,0,0,0,0,1|0,0,1]=3 124 B8R1.2 C1CCN[C@@H](C1)CO ACT09705 [1,0,0,0,0,1|0,0,1]=3 125 B8R1.2 C1CCN[C@H](C1)CO ACT09534 [1,0,0,0,0,1|0,0,1]=3 126 B8R1.2 C1CN(CCN1)C=O ACT08513 [1,0,0,0,0,1|2,0,0]=4 127 B8R1.2 C1CNCCC1CO ACT02060 [1,0,0,0,0,1|1,0,1]=4 128 B8R1.2 C1COCC(N1)CO ACT07199 [1,0,0,0,0,1|0,0,1]=3 129 B8R1.2 C1COCCC1C=O ACT10828 [1,0,0,0,0,1|1,0,0]=3 130 B8R1.2 C1COCCC1CO ACT04637 [1,0,0,0,0,1|1,0,1]=4 131 B10R1.18 C1COCCC1CC(=O)O ACT01894 [0,0,0,0,0,2|1,0,0]=3 132 B10R1.66 CC(=O)OCC1CCCO1 ACT06570 [0,0,0,0,0,2|2,0,0]=4