0 B7R0.11 CNCC(C)(C)CO P40852 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.11 COCC(C)(C)CN P36170 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.11 COCC(C)(C)CO O31179 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.5 CC(C)(C)CCN O30845 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.5 CC(C)(C)CNN H-8571 [1,0,0,0,0,0|1,0,1]=3 5 B6R0.5 CC(C)(O)CCBr H-8053 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.5 CC(C)(O)CCN M22892 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.5 CC(C)(O)CNN H-8573 [1,0,0,0,0,0|1,0,1]=3 8 B6R0.5 CNCC(C)(C)C P38864 [1,0,0,0,0,0|0,0,2]=3 9 B6R0.5 CNCC(C)(C)O F-4611 [1,0,0,0,0,0|0,0,2]=3 10 B6R0.5 COCC(C)(C)N P39356 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.8 C#CC(C)(C)CO G-7458 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.8 CC(C)(C#N)CO M23089 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.8 CCC(C)(C)CO O30180 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.8 CNC(C)(C)CO P39121 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.8 COC(C)(C)CN P35337 [1,0,0,0,0,0|0,0,1]=2 16 B8R0.34 COC(C)(C)CC(=O)O O32626 [0,1,0,0,0,0|2,0,0]=3 17 B8R1.48 CC1(C)CCC1CO P45354 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.48 CC1(C)OCC1CO Q52794 [0,0,0,1,0,0|2,0,0]=3 19 B8R1.51 CC1(C)CC(=O)CN1 Q56039 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.51 CC1(C)CC(=O)CN1 Q56040 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.51 CC1(C)CC(=O)NO1 Q70064 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.51 CC1(C)CC(O)CN1 L22151 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.51 CC1(C)CCC(=O)C1 L21292 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.52 CCC1(C)CCNC1 Q61657 [0,0,0,1,0,0|1,0,2]=4 25 B8R1.66 C(=O)CC1(C)CCC1 P46847 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.72 CC1(C)CCCCN1 Q52541 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.72 CC1(C)CCNCC1 C-3355 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.72 CC1(C)CNCCN1 D-2719 [0,0,0,1,0,0|1,0,2]=4 29 B8R1.72 CC1(C)CNCCO1 H-8786 [0,0,0,1,0,0|0,0,2]=3 30 B8R1.72 CC1(C)CNCCO1 L14122 [0,0,0,1,0,0|0,0,2]=3 31 B8R1.72 CC1(C)COCCN1 H-8787 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.72 CC1(C)COCCN1 O28306 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.82 COC1(CCN)CC1 P50313 [0,0,0,1,0,0|2,0,0]=3 34 B5R0.1 CC(O)CCN M22972 [2,0,0,0,0,0|2,0,0]=4 35 B5R0.1 CC(O)CON M15150 [2,0,0,0,0,0|2,0,0]=4 36 B5R0.1 CNCC(C)O P40721 [2,0,0,0,0,0|0,0,2]=4 37 B5R0.1 CNC[C@@H](C)O P41738 [2,0,0,0,0,0|0,0,2]=4 38 B5R0.1 CNC[C@H](C)O P36531 [2,0,0,0,0,0|0,0,2]=4 39 B5R0.3 CNC(C)CO M23268 [2,0,0,0,0,0|2,0,0]=4 40 B5R0.3 CN[C@@H](C)CO P38191 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.3 CN[C@H](C)CO P41018 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.3 COC(C)CN P36510 [2,0,0,0,0,0|0,0,1]=3 43 B5R0.4 CC(C)(C)CBr P36951 [2,0,0,0,0,0|1,0,0]=3 44 B5R0.4 CC(C)(F)CO P45778 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.4 CC(C)(O)CN G-7049 [2,0,0,0,0,0|0,0,1]=3 46 B5R0.4 C[Si](C)(C)CI M23058 [2,0,0,0,0,0|1,1,0]=4 47 B7R0.12 C#CCC(OC)OC L20433 [1,1,0,0,0,0|1,0,1]=4 48 B7R0.8 CNCCC(C)(C)O M22918 [1,1,0,0,0,0|0,0,2]=4 49 B7R0.14 CC(C)(C)C(N)CO P38365 [1,1,0,0,0,0|2,0,0]=4 50 B7R0.14 CC(C)(C)[C@@H](N)CO H-8828 [1,1,0,0,0,0|2,0,0]=4 51 B7R0.14 CC(C)(C)[C@H](N)CO P42613 [1,1,0,0,0,0|2,0,0]=4 52 B7R0.14 CC(C)(O)[C@@H](F)CN P50799 [1,1,0,0,0,0|2,0,0]=4 53 B7R0.13 CC(=O)C(C)(C)CO O34551 [1,1,0,0,0,0|2,0,0]=4 54 B7R0.13 CN(C)C(C)(C)CN P36156 [1,1,0,0,0,0|1,0,1]=4 55 B9R0.60 COC(=O)C(C)(C)CCBr H-8049 [0,2,0,0,0,0|2,0,0]=4 56 B9R0.22 COC(C)(C)CC(=O)NN O32439 [0,2,0,0,0,0|1,0,1]=4 57 B7R1.1 COC1CCNC1 C-2248 [1,0,0,1,0,0|0,0,2]=4 58 B7R1.1 CO[C@@H]1CCNC1 C-2249 [1,0,0,1,0,0|0,0,2]=4 59 B7R1.1 CO[C@H]1CCNC1 C-2250 [1,0,0,1,0,0|0,0,2]=4 60 B7R1.3 CC1CNCCO1 B-1061 [1,0,0,1,0,0|0,0,2]=4 61 B7R1.3 CC1CNCCO1 B-1061-1 [1,0,0,1,0,0|0,0,2]=4 62 B7R1.3 C[C@@H]1CNCCO1 B-1063 [1,0,0,1,0,0|0,0,2]=4 63 B7R1.3 C[C@@H]1CNCCO1 B-1063-1 [1,0,0,1,0,0|0,0,2]=4 64 B7R1.3 C[C@H]1CNCCO1 B-1062 [1,0,0,1,0,0|0,0,2]=4 65 B7R1.3 C[C@H]1CNCCO1 B-1062-1 [1,0,0,1,0,0|0,0,2]=4 66 B7R1.6 BrCCC1CCO1 Q56185 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.6 CNCC1CCO1 Q55851 [1,0,0,1,0,0|0,0,2]=4 68 B7R1.6 ICCC1CCO1 Q56184 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.6 NCCC1CCO1 O32973 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.6 NCC[C@@H]1CCO1 Q56188 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.6 NCC[C@H]1CCO1 Q56187 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.6 O=CCC1CCO1 Q56186 [1,0,0,1,0,0|2,0,0]=4 73 B7R1.6 OCCC1CCO1 F-4763 [1,0,0,1,0,0|2,0,0]=4 74 B7R1.6 OCC[C@@H]1CCO1 Q56146 [1,0,0,1,0,0|2,0,0]=4 75 B7R1.6 OCC[C@H]1CCO1 Q56145 [1,0,0,1,0,0|2,0,0]=4 76 B7R1.8 CC1OCC1CO Q56093 [1,0,0,1,0,0|2,0,0]=4 77 B7R1.10 COC1CC(=O)C1 F-4668 [1,0,0,1,0,0|2,0,0]=4 78 B7R1.10 COC1CC(Br)C1 P47967 [1,0,0,1,0,0|2,0,0]=4 79 B7R1.10 COC1CC(N)C1 C-3383 [1,0,0,1,0,0|2,0,0]=4 80 B7R1.10 COC1CC(N)C1 G-5007 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.10 COC1CC(O)C1 P48191 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.10 CO[C@H]1C[C@@H](N)C1 C-3621 [1,0,0,1,0,0|2,0,0]=4 83 B7R1.10 CO[C@H]1C[C@@H](N)C1 C-3621-1 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.10 CO[C@H]1C[C@@H](O)C1 P46991 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.10 CO[C@H]1C[C@H](Br)C1 P47002 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.10 CO[C@H]1C[C@H](N)C1 C-3622 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.10 CO[C@H]1C[C@H](N)C1 C-3622-1 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.10 CO[C@H]1C[C@H](O)C1 P46971 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.25 COC1(C)CNC1 D-2562 [1,0,0,1,0,0|0,0,2]=4 90 B7R1.25 COC1(C)CNC1 P44994 [1,0,0,1,0,0|0,0,2]=4 91 B7R1.14 CC1(C)CCNC1 I-9310 [1,0,0,1,0,0|0,0,2]=4 92 B7R1.14 CC1(C)CCNC1 Q56449 [1,0,0,1,0,0|0,0,2]=4 93 B7R1.14 CC1(O)CCNC1 D-2556 [1,0,0,1,0,0|0,0,2]=4 94 B7R1.14 CC1(O)CCNC1 O28700 [1,0,0,1,0,0|0,0,2]=4 95 B7R1.14 C[C@@]1(O)CCNC1 H-8070 [1,0,0,1,0,0|0,0,2]=4 96 B7R1.14 C[C@@]1(O)CCNC1 Q52190 [1,0,0,1,0,0|0,0,2]=4 97 B7R1.14 C[C@]1(O)CCNC1 H-8071 [1,0,0,1,0,0|0,0,2]=4 98 B7R1.14 C[C@]1(O)CCNC1 O33042 [1,0,0,1,0,0|0,0,2]=4 99 B7R1.16 CC1(C)CC(=O)C1 L21874 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.16 CC1(C)CC(Br)C1 P45628 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.16 CC1(C)CC(N)C1 L21546 [1,0,0,1,0,0|2,0,0]=4 102 B7R1.16 CC1(C)CC(N)C1 P44151 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.16 CC1(C)CC(O)C1 L21464 [1,0,0,1,0,0|2,0,0]=4 104 B7R1.16 CC1(O)CC(N)C1 P46958 [1,0,0,1,0,0|2,0,0]=4 105 B7R1.16 CC1(O)CC(N)C1 P47986 [1,0,0,1,0,0|2,0,0]=4 106 B7R1.16 C[C@]1(O)C[C@@H](N)C1 G-6305 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.16 C[C@]1(O)C[C@@H](N)C1 G-6305-01 [1,0,0,1,0,0|2,0,0]=4 108 B7R1.16 C[C@]1(O)C[C@H](N)C1 G-6304 [1,0,0,1,0,0|2,0,0]=4 109 B7R1.16 C[C@]1(O)C[C@H](N)C1 P43966 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.23 CC1(C)CC1CO P35038 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.26 CC(C)(O)C1CC1 P43176 [1,0,0,1,0,0|1,0,1]=4 112 B7R1.17 CC1(C)CCC1O O32944 [1,0,0,1,0,0|2,0,0]=4 113 B7R1.17 CC1(C)NCC1N P44080 [1,0,0,1,0,0|1,0,1]=4 114 B7R1.17 CC1(C)NCC1N P48748 [1,0,0,1,0,0|1,0,1]=4 115 B7R1.17 CC1(C)NCC1O K13397 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.17 CC1(C)NCC1O P47335 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.17 CC1(C)OCC1=O L22440 [1,0,0,1,0,0|1,0,1]=4 118 B7R1.17 CC1(C)OCC1Br Q52792 [1,0,0,1,0,0|1,0,0]=3 119 B7R1.17 CC1(C)OCC1I Q52793 [1,0,0,1,0,0|1,0,0]=3 120 B7R1.17 CC1(C)OCC1N Q52791 [1,0,0,1,0,0|0,0,1]=3 121 B7R1.17 CC1(C)OCC1O Q52790 [1,0,0,1,0,0|1,0,0]=3 122 B7R1.17 CC1(C)SCC1N Q58807 [1,0,0,1,0,0|0,1,1]=4 123 B7R1.17 CC1(C)SCC1N Q58808 [1,0,0,1,0,0|0,1,1]=4 124 B7R1.17 CC1(C)SC[C@H]1N Q58818 [1,0,0,1,0,0|0,1,1]=4 125 B7R1.29 COC1(CN)CC1 P47840 [1,0,0,1,0,0|0,0,1]=3 126 B9R1.121 CC1(CO)COC1(C)C Q62786 [0,1,0,1,0,0|2,0,0]=4 127 B9R1.10 CC1(C)OCC(N)CO1 O32540 [0,1,0,1,0,0|2,0,0]=4 128 B9R1.118 COC1(C)CCNCC1 O28390 [0,1,0,1,0,0|0,0,2]=4 129 B9R1.133 CC1(C)CC(CN)CO1 Q62977 [0,1,0,1,0,0|1,0,1]=4 130 B9R1.133 CC1(C)OCC(CN)O1 P39593 [0,1,0,1,0,0|2,0,0]=4 131 B9R1.133 CC1(C)OC[C@@H](C=O)O1 P39585 [0,1,0,1,0,0|2,0,0]=4 132 B9R1.133 CC1(C)OC[C@H](C=O)O1 P41029 [0,1,0,1,0,0|2,0,0]=4 133 B9R1.66 C=C1CCOC(C)(C)C1 Q54981 [0,1,0,1,0,0|1,0,1]=4 134 B9R1.66 CC1(C)CC(=O)CCO1 F-4698 [0,1,0,1,0,0|1,0,1]=4 135 B9R1.66 CC1(C)CC(Br)CCO1 Q57806 [0,1,0,1,0,0|1,0,1]=4 136 B9R1.66 CC1(C)CC(N)CCO1 Q55597 [0,1,0,1,0,0|1,0,1]=4 137 B9R1.66 CC1(C)COCC(=O)C1 Q61431 [0,1,0,1,0,0|2,0,0]=4 138 B9R1.134 COCC1(C)CCNC1 Q57403 [0,1,0,1,0,0|0,0,2]=4 139 B9R1.134 COCC1(C)CCNC1 Q57404 [0,1,0,1,0,0|0,0,2]=4 140 B9R1.124 COC1(OC)CC(=O)C1 P45667 [0,1,0,1,0,0|2,0,0]=4 141 B9R1.124 COC1(OC)CC(N)C1 P47679 [0,1,0,1,0,0|2,0,0]=4 142 B9R1.124 COC1(OC)CC(O)C1 P46585 [0,1,0,1,0,0|2,0,0]=4 143 B9R1.175 COC1(CCO)CCC1 P45127 [0,1,0,1,0,0|2,0,0]=4 144 B9R1.175 COC1(CCO)COC1 Q55872 [0,1,0,1,0,0|2,0,0]=4 145 B9R1.204 COC1(OC)CCNC1 L14092 [0,1,0,1,0,0|0,0,2]=4 146 B9R1.166 CC1(C)OCC1C(=O)O Q52795 [0,1,0,1,0,0|2,0,0]=4 147 B9R2.198 CC12CC(N)(CO1)C2 P45989 [0,0,0,2,0,0|2,0,0]=4 148 B9R2.173 C1CC2(CCO2)CN1 C-2959 [0,0,0,2,0,0|0,0,2]=4 149 B9R2.173 C1CC2(CCO2)CN1 C-2959-1 [0,0,0,2,0,0|0,0,2]=4 150 B9R2.173 C1CC2(CCO2)CN1 Q62228 [0,0,0,2,0,0|0,0,2]=4 151 B9R2.173 C1C[C@@]2(CCO2)CN1 Q63336 [0,0,0,2,0,0|0,0,2]=4 152 B9R2.173 C1C[C@]2(CCO2)CN1 Q63335 [0,0,0,2,0,0|0,0,2]=4 153 B9R2.162 COC12CC(I)(C1)C2 P48579 [0,0,0,2,0,0|2,0,0]=4 154 B9R2.162 COC12CC(N)(C1)C2 P46601 [0,0,0,2,0,0|2,0,0]=4 155 B9R2.174 C1COC2(CC2)CN1 L14358 [0,0,0,2,0,0|0,0,2]=4 156 B9R2.174 C1COC2(CC2)CN1 Q52344 [0,0,0,2,0,0|0,0,2]=4