0 B9R1.35 CC(=O)N1CCC(Br)C1 AC-94637 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC(=O)N1CCC(N)C1 AC-45636 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.35 CC(=O)N1CCC(N)C1 AC-85189 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.35 CN1CCC(C(=O)O)C1 AC-31739 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 CN1CCC(C(=O)O)C1 AC-50464 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 AC-66634 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.35 NC(=O)C1CC(F)CN1 AC-95160 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 AC-80367 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 AC-79269 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 AC-45056 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 AC-83227 [0,0,0,0,0,0|1,0,0]=1 11 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 AC-16840 [0,0,0,0,0,0|0,0,0]=0 12 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 AC-83990 [0,0,0,0,0,0|1,0,0]=1 13 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 AC-85839 [0,0,0,0,0,0|1,0,0]=1 14 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 AC-16841 [0,0,0,0,0,0|0,0,0]=0 15 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 AC-66775 [0,0,0,0,0,0|0,0,0]=0 16 B9R1.35 O=C1CC(C(=O)O)CN1 AC-57457 [0,0,0,0,0,0|2,0,2]=4 17 B9R1.35 O=C1CCC(C(=O)O)N1 AC-24041 [0,0,0,0,0,0|2,0,2]=4 18 B9R1.35 O=C1CC[C@H](C(=O)O)N1 AC-10288 [0,0,0,0,0,0|2,0,2]=4 19 B8R1.7 NC(=O)C1CCCN1 AC-56570 [1,0,0,0,0,0|1,0,0]=2 20 B8R1.7 NC(=O)C1CCCO1 AC-81426 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.7 NC(=O)C1CCNC1 AC-91916 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.7 NC(=O)[C@@H]1CCCN1 AC-11445 [1,0,0,0,0,0|1,0,0]=2 23 B8R1.7 O=C(O)C1C=CCO1 AC-94554 [1,0,0,0,0,0|1,0,2]=4 24 B8R1.7 O=C(O)C1CCCC1 AC-27255 [1,0,0,0,0,0|1,0,0]=2 25 B8R1.7 O=C(O)C1CCCN1 AC-19172 [1,0,0,0,0,0|0,0,0]=1 26 B8R1.7 O=C(O)C1CCOC1 AC-44952 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.7 O=C(O)C1NCCS1 AC-62961 [1,0,0,0,0,0|1,0,0]=2 28 B8R1.7 O=C(O)[C@@H]1C=CCN1 AC-82950 [1,0,0,0,0,0|0,0,2]=3 29 B8R1.7 O=C(O)[C@@H]1CCOC1 AC-63073 [1,0,0,0,0,0|2,0,0]=3 30 B8R1.7 O=C(O)[C@H]1CCCN1 AC-10596 [1,0,0,0,0,0|0,0,0]=1 31 B8R1.7 O=C(O)[C@H]1CCCO1 AC-10530 [1,0,0,0,0,0|1,0,0]=2 32 B8R1.7 O=C(O)[C@H]1CCNC1 AC-20499 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.7 O=C(O)[C@H]1CCNC1 AC-63692 [1,0,0,0,0,0|2,0,0]=3 34 B8R1.7 O=C(O)[C@H]1CCOC1 AC-85377 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.7 OB(O)C1CCCC1 AC-17942 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.14 COC(=O)C1CC(=O)CO1 AC-90577 [0,1,0,0,0,0|1,0,2]=4 37 B10R1.14 COC(=O)C1CCC(N)C1 AC-73697 [0,1,0,0,0,0|2,0,0]=3 38 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 AC-86895 [0,1,0,0,0,0|1,0,0]=2 39 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 AC-45812 [0,1,0,0,0,0|0,0,0]=1 40 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 AC-45671 [0,1,0,0,0,0|0,0,0]=1 41 B10R1.31 CCN1CCC(C(=O)O)C1 AC-75909 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.359 O=C(O)C1CC(F)(F)CN1 AC-88084 [0,1,0,0,0,0|1,0,0]=2 43 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 AC-81514 [0,1,0,0,0,0|1,0,0]=2 44 B10R1.359 O=C(O)[C@H]1CC(F)(F)CN1 AC-83917 [0,1,0,0,0,0|1,0,0]=2 45 B10R1.470 CN1CCC(C)(C(=O)O)C1 AC-75823 [0,1,0,0,0,0|3,0,0]=4 46 B8R0.8 NCCC[C@H](N)C(=O)O AC-10594 [0,0,1,0,0,0|3,0,0]=4 47 B8R0.23 CC(C)CC(Br)C(=O)O AC-77294 [0,0,1,0,0,0|2,0,0]=3 48 B8R0.23 CC(C)CC(N)C(=O)O AC-10289 [0,0,1,0,0,0|1,0,0]=2 49 B8R0.23 CC(C)CC(O)C(=O)O AC-83999 [0,0,1,0,0,0|2,0,0]=3 50 B8R0.23 CC(C)C[C@@H](N)C(=O)O AC-16501 [0,0,1,0,0,0|1,0,0]=2 51 B8R0.23 NC(=O)C[C@@H](N)C(=O)O AC-76859 [0,0,1,0,0,0|1,0,2]=4 52 B8R0.28 CN(C)CCCC(=O)O AC-51576 [0,0,1,0,0,0|3,0,0]=4 53 B10R2.357 [C@@H]12C[C@@H](C(N)=O)N[C@@H]1C2 AC-73828 [0,0,0,1,0,0|2,0,0]=3 54 B8R1.23 CC1CC(C(=O)O)C1 AC-41624 [0,0,0,0,1,0|1,0,0]=2 55 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 AC-79281 [0,0,0,0,1,0|1,0,0]=2 56 B8R1.23 O=C(O)C1CC(Cl)C1 AC-88521 [0,0,0,0,1,0|1,0,0]=2 57 B8R1.23 O=C(O)C1CC(F)C1 AC-29373 [0,0,0,0,1,0|1,0,0]=2 58 B8R1.23 O=C(O)C1CC(O)C1 AC-37931 [0,0,0,0,1,0|0,0,0]=1 59 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 AC-41630 [0,0,0,0,1,0|0,0,0]=1 60 B10R1.13 CC(=O)N1CCC(O)CC1 AC-55638 [0,0,0,0,0,1|3,0,0]=4 61 B10R1.13 CC1CCC(C(=O)O)CN1 AC-92143 [0,0,0,0,0,1|2,0,0]=3 62 B10R1.13 CN1CCC(C(=O)O)CC1 AC-31520 [0,0,0,0,0,1|3,0,0]=4 63 B10R1.13 CN1CCC(C(=O)O)CC1 AC-59871 [0,0,0,0,0,1|3,0,0]=4 64 B10R1.13 NC1CCC(C(=O)O)CC1 AC-83075 [0,0,0,0,0,1|2,0,0]=3 65 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 AC-22593 [0,0,0,0,0,1|2,0,0]=3 66 B10R1.13 O=C1CCC(C(=O)O)CN1 AC-45451 [0,0,0,0,0,1|1,0,2]=4 67 B10R1.13 O=C1CCC(C(=O)O)NC1 AC-40587 [0,0,0,0,0,1|0,0,2]=3 68 B10R1.54 NC1CCN(CC(=O)O)C1 AC-91509 [0,0,0,0,0,1|3,0,0]=4 69 B10R1.54 O=C(O)CN1CCC(O)C1 AC-86503 [0,0,0,0,0,1|2,0,0]=3 70 B10R1.113 CN1CCCC(C(=O)O)C1 AC-44887 [0,0,0,0,0,1|3,0,0]=4 71 B10R1.113 CN1CCOC(C(=O)O)C1 AC-44885 [0,0,0,0,0,1|3,0,0]=4 72 B10R1.113 NC1CCCC(C(=O)O)C1 AC-24444 [0,0,0,0,0,1|2,0,0]=3 73 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 AC-81150 [0,0,0,0,0,1|2,0,0]=3 74 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 AC-80481 [0,0,0,0,0,1|2,0,0]=3 75 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 AC-35029 [0,0,0,0,0,1|2,0,0]=3 76 B10R1.113 O=C1CCNC(C(=O)O)C1 AC-90635 [0,0,0,0,0,1|0,0,2]=3 77 B10R1.113 O=C1CCNC(C(=O)O)C1 AC-93850 [0,0,0,0,0,1|0,0,2]=3 78 B10R1.113 O=C1CNCC(C(=O)O)N1 AC-95896 [0,0,0,0,0,1|1,0,2]=4 79 B7R0.4 C=CCNCC(=O)O AC-32135 [1,0,1,0,0,0|0,0,2]=4 80 B7R0.4 CC(=O)CCCCBr AC-77132 [1,0,1,0,0,0|2,0,0]=4 81 B7R0.4 CNCCCC(=O)O AC-81313 [1,0,1,0,0,0|2,0,0]=4 82 B7R0.5 C#CC[C@@H](N)C(=O)O AC-63825 [1,0,1,0,0,0|0,0,2]=4 83 B7R0.5 C=CC[C@H](N)C(=O)O AC-16624 [1,0,1,0,0,0|0,0,2]=4 84 B7R0.5 CCC[C@H](N)C(=O)O AC-15512 [1,0,1,0,0,0|0,0,0]=2 85 B7R0.5 COC[C@@H](N)C(=O)O AC-72094 [1,0,1,0,0,0|1,0,0]=3 86 B7R0.5 NC(CCO)C(=O)O AC-65691 [1,0,1,0,0,0|0,0,0]=2 87 B7R0.5 NCCC(N)C(=O)O AC-27327 [1,0,1,0,0,0|1,0,0]=3 88 B7R0.5 NCC[C@H](O)C(=O)O AC-10736 [1,0,1,0,0,0|2,0,0]=4 89 B7R0.5 N[C@H](CCO)C(=O)O AC-65692 [1,0,1,0,0,0|0,0,0]=2 90 B7R0.6 CC(C)NCC(=O)O AC-84846 [1,0,1,0,0,0|2,0,0]=4 91 B7R0.2 CC(C)C[C@@H](N)CO AC-43834 [1,0,1,0,0,0|1,0,1]=4 92 B7R1.1 O=CC1=CCCC1 AC-80756 [2,0,0,0,0,0|1,0,1]=4 93 B7R1.1 O=CC1CCCO1 AC-31412 [2,0,0,0,0,0|1,0,0]=3 94 B7R1.1 OCC1CCCN1 AC-57969 [2,0,0,0,0,0|0,0,1]=3 95 B7R1.1 OC[C@@H]1CCCN1 AC-11523 [2,0,0,0,0,0|0,0,1]=3 96 B7R1.1 OC[C@H]1CCCN1 AC-11286 [2,0,0,0,0,0|0,0,1]=3 97 B7R1.2 CC1CNC(=O)C1 AC-86644 [2,0,0,0,0,0|1,0,1]=4 98 B7R1.2 NC1CNC(=O)C1 AC-91662 [2,0,0,0,0,0|1,0,1]=4 99 B7R1.2 NC1CNC(=O)C1 AC-92213 [2,0,0,0,0,0|1,0,1]=4 100 B7R1.2 N[C@H]1CC[C@@H](O)C1 AC-79678 [2,0,0,0,0,0|2,0,0]=4 101 B7R1.2 N[C@H]1CC[C@@H](O)C1 AC-81200 [2,0,0,0,0,0|2,0,0]=4 102 B7R1.2 O=C1CC(O)CN1 AC-45367 [2,0,0,0,0,0|0,0,1]=3 103 B7R1.2 O=C1C[C@H](O)CN1 AC-16846 [2,0,0,0,0,0|0,0,1]=3 104 B9R0.79 CC(C)C(O)C(N)C(=O)O AC-86417 [0,1,1,0,0,0|1,0,0]=3 105 B9R1.11 COC(=O)C1=CCCC1 AC-45375 [1,1,0,0,0,0|1,0,1]=4 106 B9R1.11 COC(=O)C1CCCN1 AC-45325 [1,1,0,0,0,0|0,0,0]=2 107 B9R1.11 COC(=O)[C@@H]1CCCN1 AC-16155 [1,1,0,0,0,0|0,0,0]=2 108 B9R1.41 CC(=O)C1CCCC1=O AC-85351 [1,1,0,0,0,0|2,0,0]=4 109 B9R1.41 CN1CCC[C@@H]1C(=O)O AC-84576 [1,1,0,0,0,0|0,0,0]=2 110 B9R1.41 CN1CCC[C@H]1C(=O)O AC-45706 [1,1,0,0,0,0|0,0,0]=2 111 B9R1.41 NC1CCCC1C(=O)O AC-84484 [1,1,0,0,0,0|1,0,0]=3 112 B9R1.41 O=C(O)C1CCNC1=O AC-76461 [1,1,0,0,0,0|2,0,0]=4 113 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O AC-83608 [1,1,0,0,0,0|0,0,0]=2 114 B9R1.163 NC1(C(=O)O)CCCC1 AC-22601 [1,1,0,0,0,0|1,0,0]=3 115 B9R1.163 O=C(O)C1(O)CCCC1 AC-80615 [1,1,0,0,0,0|1,0,0]=3 116 B9R1.82 COC(=O)C1CC(=O)C1 AC-76972 [0,1,0,0,1,0|0,0,2]=4 117 B9R1.82 COC(=O)C1CC(N)C1 AC-80720 [0,1,0,0,1,0|1,0,0]=3 118 B9R1.82 COC(=O)C1CC(O)C1 AC-43701 [0,1,0,0,1,0|0,0,0]=2 119 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 AC-86590 [0,1,0,0,1,0|0,0,0]=2 120 B9R1.95 O=C(O)C1CC(CO)C1 AC-81419 [0,1,0,0,1,0|0,0,0]=2 121 B9R1.164 CC1(C)CC(C(=O)O)C1 AC-41638 [0,1,0,0,1,0|1,0,0]=3 122 B9R1.164 CC1(O)CC(C(=O)O)C1 AC-81055 [0,1,0,0,1,0|0,0,0]=2 123 B11R1.3 CCC1CCC(C(=O)O)CC1 AC-81226 [0,1,0,0,0,1|2,0,0]=4 124 B11R1.22 COC(=O)C1CCC(C)NC1 AC-89167 [0,1,0,0,0,1|2,0,0]=4 125 B11R1.22 COC(=O)[C@H]1CC[C@@H](N)CC1 AC-85727 [0,1,0,0,0,1|2,0,0]=4 126 B11R1.23 CC1CC(C(=O)ON)CCO1 AC-72334 [0,1,0,0,0,1|2,0,0]=4 127 B11R1.23 COC(=O)C1CC(=O)CCN1 AC-41749 [0,1,0,0,0,1|0,0,2]=4 128 B11R1.23 COC(=O)C1CC(=O)CCN1 AC-83324 [0,1,0,0,0,1|0,0,2]=4 129 B11R1.23 COC(=O)C1CC(O)CCN1 AC-79964 [0,1,0,0,0,1|0,0,0]=2 130 B11R1.23 COC(=O)C1CCOC(C)C1 AC-84314 [0,1,0,0,0,1|2,0,0]=4 131 B11R1.23 COC(=O)C1CN(C)CCN1 AC-83817 [0,1,0,0,0,1|2,0,0]=4 132 B11R1.266 COC1CCCC(C(=O)O)C1 AC-92940 [0,1,0,0,0,1|1,0,0]=3 133 B11R1.730 O=C(O)C1CCCC(F)(F)C1 AC-95827 [0,1,0,0,0,1|2,0,0]=4 134 B11R1.225 COC(=O)C1CC(C)CC1=O AC-93417 [0,2,0,0,0,0|2,0,0]=4 135 B9R1.6 CC(=O)C1CCCCN1 AC-59637 [0,0,1,1,0,0|2,0,0]=4 136 B9R1.6 CC(=O)C1CCCCN1 AC-75764 [0,0,1,1,0,0|2,0,0]=4 137 B9R1.6 NC(=O)C1CCCCN1 AC-58730 [0,0,1,1,0,0|2,0,0]=4 138 B9R1.6 O=C(O)C1=CCCOC1 AC-40735 [0,0,1,1,0,0|1,0,1]=4 139 B9R1.6 O=C(O)C1CCCCC1 AC-27211 [0,0,1,1,0,0|2,0,0]=4 140 B9R1.6 O=C(O)C1CCCCN1 AC-10556 [0,0,1,1,0,0|1,0,0]=3 141 B9R1.6 O=C(O)C1CCCCN1 AC-11054 [0,0,1,1,0,0|1,0,0]=3 142 B9R1.6 O=C(O)C1CCCCN1 AC-11295 [0,0,1,1,0,0|1,0,0]=3 143 B9R1.6 O=C(O)C1CCCCO1 AC-79301 [0,0,1,1,0,0|2,0,0]=4 144 B9R1.6 O=C(O)C1CCCNC1 AC-13469 [0,0,1,1,0,0|2,0,0]=4 145 B9R1.6 O=C(O)C1CCCOC1 AC-45182 [0,0,1,1,0,0|1,0,0]=3 146 B9R1.6 O=C(O)C1CNCCN1 AC-11051 [0,0,1,1,0,0|1,0,0]=3 147 B9R1.6 O=C(O)C1CNCCN1 AC-23992 [0,0,1,1,0,0|1,0,0]=3 148 B9R1.6 O=C(O)C1CNCCO1 AC-77446 [0,0,1,1,0,0|2,0,0]=4 149 B9R1.6 O=C(O)C1COCCN1 AC-39823 [0,0,1,1,0,0|0,0,0]=2 150 B9R1.6 O=C(O)C1COCCO1 AC-57186 [0,0,1,1,0,0|1,0,0]=3 151 B9R1.6 O=C(O)C1NCCCS1 AC-84721 [0,0,1,1,0,0|2,0,0]=4 152 B9R1.6 O=C(O)[C@@H]1CCCCN1 AC-77435 [0,0,1,1,0,0|1,0,0]=3 153 B9R1.6 O=C(O)[C@@H]1CCCNC1 AC-19088 [0,0,1,1,0,0|2,0,0]=4 154 B9R1.6 O=C(O)[C@@H]1CCCNC1 AC-67104 [0,0,1,1,0,0|2,0,0]=4 155 B9R1.6 O=C(O)[C@@H]1CNCCN1 AC-22116 [0,0,1,1,0,0|1,0,0]=3 156 B9R1.6 O=C(O)[C@@H]1COCCN1 AC-80681 [0,0,1,1,0,0|0,0,0]=2 157 B9R1.6 O=C(O)[C@H]1CCCCN1 AC-40464 [0,0,1,1,0,0|1,0,0]=3 158 B9R1.6 O=C(O)[C@H]1CCCNC1 AC-19089 [0,0,1,1,0,0|2,0,0]=4 159 B7R0.16 CC(C)[C@@H](N)C(N)=O AC-61031 [0,0,1,0,1,0|2,0,0]=4 160 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O AC-11380 [0,0,1,0,1,0|0,0,0]=2 161 B7R1.10 OCC1CC(Cl)C1 AC-84181 [1,0,0,0,1,0|1,0,1]=4 162 B7R1.18 CC(O)C1CCC1 AC-80542 [1,0,0,0,1,0|1,0,1]=4 163 B7R1.18 N=C(N)C1CCC1 AC-71670 [1,0,0,0,1,0|2,0,0]=4 164 B7R1.18 NC(=O)C1CCC1 AC-71954 [1,0,0,0,1,0|1,0,0]=3 165 B7R1.18 NC(=O)C1CCN1 AC-59671 [1,0,0,0,1,0|1,0,0]=3 166 B7R1.18 O=C(O)C1CCC1 AC-11357 [1,0,0,0,1,0|0,0,0]=2 167 B7R1.18 O=C(O)C1CCO1 AC-40084 [1,0,0,0,1,0|1,0,0]=3 168 B7R1.18 O=C(O)C1CNC1 AC-16023 [1,0,0,0,1,0|1,0,0]=3 169 B7R1.18 O=C(O)C1COC1 AC-40085 [1,0,0,0,1,0|1,0,0]=3 170 B7R1.18 O=C(O)[C@@H]1CCN1 AC-16024 [1,0,0,0,1,0|0,0,0]=2 171 B7R1.18 O=C(O)[C@H]1CCN1 AC-20594 [1,0,0,0,1,0|0,0,0]=2 172 B7R1.18 OB(O)C1CCC1 AC-79309 [1,0,0,0,1,0|1,0,1]=4 173 B7R1.12 CC1CC1C(N)=O AC-91394 [0,0,0,0,2,0|2,0,0]=4 174 B9R1.13 NC(=O)NC1CCCC1 AC-87436 [1,0,0,0,0,1|2,0,0]=4 175 B9R1.13 O=C(Cl)OC1CCCC1 AC-20166 [1,0,0,0,0,1|2,0,0]=4 176 B9R1.13 O=C(O)CC1CCCC1 AC-45162 [1,0,0,0,0,1|1,0,0]=3 177 B9R1.13 O=C(O)CC1CCNC1 AC-45709 [1,0,0,0,0,1|2,0,0]=4 178 B9R1.13 O=C(O)CC1CCOC1 AC-31430 [1,0,0,0,0,1|2,0,0]=4 179 B11R1.20 CC(=O)NC1CCC(O)CC1 AC-24067 [0,0,0,0,0,2|2,0,0]=4