0 B6R0.1 CCC(S)CCO O29430 [1,0,0,0,0,0|2,0,0]=3 1 B6R0.1 CCN(C)CCO Q66070 [1,0,0,0,0,0|0,0,0]=1 2 B6R0.9 CCC(CC)NN O31133 [1,0,0,0,0,0|3,0,0]=4 3 B6R0.9 NCC(CO)CO F-4437 [1,0,0,0,0,0|3,0,0]=4 4 B6R0.9 OCC(CO)CO F-4239 [1,0,0,0,0,0|3,0,0]=4 5 B8R0.16 CCN(CC)CC(=O)O P40850 [0,1,0,0,0,0|0,0,1]=2 6 B8R0.16 CCN(CC)C[C@@H](C)N P36009 [0,1,0,0,0,0|1,0,0]=2 7 B8R0.16 CCN(CC)C[C@H](C)N P36511 [0,1,0,0,0,0|1,0,0]=2 8 B8R0.22 CCCC(CBr)CCC O29610 [0,1,0,0,0,0|3,0,0]=4 9 B8R1.1 CCC1CCC(C)N1 Q59319 [0,0,0,1,0,0|3,0,0]=4 10 B8R1.1 CCN1CCC(N)C1 L21975 [0,0,0,1,0,0|1,0,0]=2 11 B8R1.1 CCN1CCC(N)C1 O30179 [0,0,0,1,0,0|1,0,0]=2 12 B8R1.1 CCN1CC[C@@H](N)C1 L21955 [0,0,0,1,0,0|1,0,0]=2 13 B8R1.1 CCN1CC[C@H](N)C1 L21974 [0,0,0,1,0,0|1,0,0]=2 14 B8R1.1 COC1CCC(N)C1 L22158 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.1 COC1CCC(N)C1 Q52668 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.1 COC1CCC(O)C1 Q57014 [0,0,0,1,0,0|2,0,0]=3 17 B8R1.1 CO[C@@H]1CC[C@@H](N)C1 O33204 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.1 CO[C@@H]1CC[C@@H](N)C1 Q64245 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.1 CO[C@@H]1CC[C@@H](O)C1 Q56989 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.1 CO[C@@H]1CC[C@H](N)C1 Q64243 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.1 CO[C@@H]1CC[C@H](N)C1 Q64248 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.1 CO[C@@H]1CC[C@H](O)C1 Q57013 [0,0,0,1,0,0|2,0,0]=3 23 B8R1.1 CO[C@H]1CC[C@@H](N)C1 O33413 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.1 CO[C@H]1CC[C@@H](N)C1 Q64247 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.1 CO[C@H]1CC[C@H](N)C1 Q64244 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.1 CO[C@H]1CC[C@H](N)C1 Q64246 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.1 NCC1CC(O)CN1 Q59300 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.1 NCC1CCC(F)C1 Q52913 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.1 NC[C@@H]1CC[C@@H](F)C1 Q52915 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.1 NC[C@@H]1CC[C@@H](O)C1 Q57119 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.1 NC[C@@H]1CC[C@H](O)C1 Q57118 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.1 NC[C@H]1CC[C@@H](F)C1 Q52914 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.1 NC[C@H]1CC[C@@H](O)C1 Q57121 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.1 NC[C@H]1CC[C@H](O)C1 Q57120 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.1 O=CC1CCC(O)C1 Q56985 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.1 OCC1CC(O)CN1 Q59342 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.1 OCC1CCC(F)C1 Q52910 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.1 OC[C@@H]1CC[C@@H](F)C1 Q52912 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 H-8224 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 L13519 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.1 OC[C@@H]1C[C@H](O)CN1 P48680 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.1 OC[C@H]1CC[C@@H](F)C1 Q52911 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.1 OC[C@H]1C[C@H](O)CN1 Q61647 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.2 BrCC1=CCOCC1 Q54593 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.2 BrCC1CCNCC1 L21509 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.2 BrCC1CCOCC1 G-5150 [0,0,0,1,0,0|2,0,0]=3 47 B8R1.2 BrCC1CCSCC1 O29933 [0,0,0,1,0,0|2,1,0]=4 48 B8R1.2 C#CC1CCOCC1 C-3588 [0,0,0,1,0,0|1,0,2]=4 49 B8R1.2 C=CC1CCOCC1 Q57821 [0,0,0,1,0,0|1,0,2]=4 50 B8R1.2 CCC1CCNCC1 P41021 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.2 CC[C@@H]1CCCCN1 Q54717 [0,0,0,1,0,0|3,0,0]=4 52 B8R1.2 CC[C@@H]1CCCNC1 Q61422 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.2 CC[C@H]1CCCNC1 Q61421 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.2 CNC1CCNCC1 L21525 [0,0,0,1,0,0|3,0,0]=4 55 B8R1.2 CNC1CCOCC1 G-5151 [0,0,0,1,0,0|2,0,0]=3 56 B8R1.2 COC1=CCOCC1 G-7495 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.2 COC1CCNCC1 C-2394 [0,0,0,1,0,0|3,0,0]=4 58 B8R1.2 COC1CCNCC1 C-3203 [0,0,0,1,0,0|3,0,0]=4 59 B8R1.2 CON1CCNCC1 H-8599 [0,0,0,1,0,0|2,0,0]=3 60 B8R1.2 CSC1CCNCC1 C-2200 [0,0,0,1,0,0|3,0,0]=4 61 B8R1.2 ClCC1CCNCC1 L21584 [0,0,0,1,0,0|3,0,0]=4 62 B8R1.2 FCC1CCNCC1 L13946 [0,0,0,1,0,0|3,0,0]=4 63 B8R1.2 ICC1CCOCC1 C-3412 [0,0,0,1,0,0|2,0,0]=3 64 B8R1.2 N#CC1CCOCC1 C-3419 [0,0,0,1,0,0|2,0,1]=4 65 B8R1.2 NCC1=CCOCC1 Q54594 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.2 NCC1CCOCC1 C-3413 [0,0,0,1,0,0|2,0,0]=3 67 B8R1.2 NCC1CCSCC1 I-9299 [0,0,0,1,0,0|2,1,0]=4 68 B8R1.2 NCC1CCSCC1 O30354 [0,0,0,1,0,0|2,1,0]=4 69 B8R1.2 NNC1CCOCC1 C-3567 [0,0,0,1,0,0|3,0,0]=4 70 B8R1.2 NNC1CCOCC1 O31822 [0,0,0,1,0,0|3,0,0]=4 71 B8R1.2 NNC1CCOCC1 Q62217 [0,0,0,1,0,0|3,0,0]=4 72 B8R1.2 NOC1CCOCC1 Q57828 [0,0,0,1,0,0|3,0,0]=4 73 B8R1.2 O=CC1CCOCC1 C-3265 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.2 OCC1=CCOCC1 Q54592 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.2 OCC1CCOCC1 C-3562 [0,0,0,1,0,0|2,0,0]=3 76 B8R1.2 OCC1CCSCC1 O31147 [0,0,0,1,0,0|2,1,0]=4 77 B8R1.8 BrCCC1CCCC1 P40215 [0,0,0,1,0,0|2,0,0]=3 78 B8R1.8 C#CCN1CCCC1 P36421 [0,0,0,1,0,0|1,0,1]=3 79 B8R1.8 CNCC1CCCC1 P38031 [0,0,0,1,0,0|3,0,0]=4 80 B8R1.8 N#CCC1CCCC1 P37327 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.8 N#CCN1CCCC1 P51492 [0,0,0,1,0,0|1,0,1]=3 82 B8R1.8 NCCC1CCCC1 P37297 [0,0,0,1,0,0|2,0,0]=3 83 B8R1.8 NNCC1CCCC1 P44364 [0,0,0,1,0,0|3,0,0]=4 84 B8R1.8 NNCC1CCCC1 Q59135 [0,0,0,1,0,0|3,0,0]=4 85 B8R1.8 O=CCC1CCCC1 P37401 [0,0,0,1,0,0|1,0,2]=4 86 B8R1.8 O=CCN1CCCC1 P35023 [0,0,0,1,0,0|0,0,2]=3 87 B8R1.8 OCCC1CCCC1 P36182 [0,0,0,1,0,0|1,0,0]=2 88 B8R1.8 OCCC1CCCN1 G-5919 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.8 OCCC1CCNC1 G-7310 [0,0,0,1,0,0|2,0,0]=3 90 B8R1.11 CC1CCCC1CN L20508 [0,0,0,1,0,0|3,0,0]=4 91 B8R1.11 CO[C@@H]1CCN[C@H]1C Q61887 [0,0,0,1,0,0|3,0,0]=4 92 B8R1.11 C[C@@H]1NCC[C@@H]1CO Q62184 [0,0,0,1,0,0|3,0,0]=4 93 B8R1.12 COC1CCC1CN P44996 [0,0,0,1,0,0|3,0,0]=4 94 B8R1.12 COC1CCC1CO P50853 [0,0,0,1,0,0|2,0,0]=3 95 B8R1.12 CO[C@@H]1CC[C@@H]1CO P50822 [0,0,0,1,0,0|2,0,0]=3 96 B8R1.12 CO[C@@H]1CC[C@H]1CO P50819 [0,0,0,1,0,0|2,0,0]=3 97 B8R1.12 NCC1CCC1CF P48302 [0,0,0,1,0,0|3,0,0]=4 98 B8R1.12 OCC1CCC1CO P45532 [0,0,0,1,0,0|2,0,0]=3 99 B8R1.60 CCC1(CC)CNC1 P44699 [0,0,0,1,0,0|3,0,0]=4 100 B8R1.60 CCC1(CC)CNC1 P44918 [0,0,0,1,0,0|3,0,0]=4 101 B8R1.60 CCC1(CN)CCC1 P44713 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.82 COC1(CCN)CC1 P50313 [0,0,0,1,0,0|3,0,0]=4 103 B8R1.82 N#CC1(CCO)CC1 L14732 [0,0,0,1,0,0|2,0,1]=4 104 B5R0.1 CC(N)CCO P39048 [2,0,0,0,0,0|2,0,0]=4 105 B5R0.1 C[C@@H](N)CCO F-4752 [2,0,0,0,0,0|2,0,0]=4 106 B5R0.1 C[C@H](N)CCO F-4570 [2,0,0,0,0,0|2,0,0]=4 107 B5R0.2 C#CCNCC P37598 [2,0,0,0,0,0|1,0,1]=4 108 B5R0.2 CCNCCCl L21040 [2,0,0,0,0,0|1,0,0]=3 109 B5R0.3 CC(CN)CO O30604 [2,0,0,0,0,0|2,0,0]=4 110 B5R0.3 CNC(C)CO M23268 [2,0,0,0,0,0|2,0,0]=4 111 B5R0.3 CN[C@@H](C)CO P38191 [2,0,0,0,0,0|2,0,0]=4 112 B5R0.3 CN[C@H](C)CO P41018 [2,0,0,0,0,0|2,0,0]=4 113 B7R0.5 CC(=O)N(C)CCN P35211 [1,1,0,0,0,0|1,0,1]=4 114 B7R0.5 CC(C)[C@H](N)CCO Q69023 [1,1,0,0,0,0|2,0,0]=4 115 B7R0.5 CCCC(C)C(C)N L19280 [1,1,0,0,0,0|2,0,0]=4 116 B7R0.7 CCCN(C)CCO Q66069 [1,1,0,0,0,0|0,0,0]=2 117 B7R0.10 CCN(C)C(=O)CN P36486 [1,1,0,0,0,0|1,0,1]=4 118 B7R0.15 CCC(CO)C(C)C K16110 [1,1,0,0,0,0|1,0,0]=3 119 B9R0.37 CCN(CC)C(=O)CCN P38701 [0,2,0,0,0,0|1,0,0]=3 120 B9R0.50 CCN(CC)CC#CCN L18719 [0,2,0,0,0,0|1,0,0]=3 121 B9R0.50 CCN(CC)CCCCN P39133 [0,2,0,0,0,0|1,0,0]=3 122 B9R0.41 CCC(CC)C(N)C(=O)O M22686 [0,2,0,0,0,0|1,0,1]=4 123 B9R0.41 CCC(CC)[C@@H](N)C(=O)O P41265 [0,2,0,0,0,0|1,0,1]=4 124 B9R0.41 CCC(CC)[C@H](N)C(=O)O P41266 [0,2,0,0,0,0|1,0,1]=4 125 B7R1.1 BrCC1CCOC1 C-3388 [1,0,0,1,0,0|2,0,0]=4 126 B7R1.1 CC[C@@H]1CCNC1 L14526 [1,0,0,1,0,0|2,0,0]=4 127 B7R1.1 CC[C@H]1CCNC1 L14527 [1,0,0,1,0,0|2,0,0]=4 128 B7R1.1 CNC1CCOC1 I-9659 [1,0,0,1,0,0|2,0,0]=4 129 B7R1.1 CN[C@@H]1CCOC1 L13930 [1,0,0,1,0,0|2,0,0]=4 130 B7R1.1 CN[C@H]1CCOC1 L13929 [1,0,0,1,0,0|2,0,0]=4 131 B7R1.1 ICC1CCOC1 I-9304 [1,0,0,1,0,0|2,0,0]=4 132 B7R1.1 NCC1CCOC1 C-3659 [1,0,0,1,0,0|2,0,0]=4 133 B7R1.1 NCC1CCOC1 G-6767 [1,0,0,1,0,0|2,0,0]=4 134 B7R1.1 NC[C@@H]1CCOC1 C-2790 [1,0,0,1,0,0|2,0,0]=4 135 B7R1.1 NC[C@@H]1CCOC1 G-5015 [1,0,0,1,0,0|2,0,0]=4 136 B7R1.1 NC[C@H]1CCOC1 C-2789 [1,0,0,1,0,0|2,0,0]=4 137 B7R1.1 NC[C@H]1CCOC1 G-5014 [1,0,0,1,0,0|2,0,0]=4 138 B7R1.1 OCC1CCOC1 C-3387 [1,0,0,1,0,0|2,0,0]=4 139 B7R1.1 OC[C@@H]1CCOC1 C-2787 [1,0,0,1,0,0|2,0,0]=4 140 B7R1.1 OC[C@H]1CCOC1 C-2788 [1,0,0,1,0,0|2,0,0]=4 141 B7R1.2 CC1CC(O)CN1 Q59204 [1,0,0,1,0,0|2,0,0]=4 142 B7R1.2 CC1CC(O)CN1 Q59205 [1,0,0,1,0,0|2,0,0]=4 143 B7R1.2 CC1CCC(N)C1 Q56970 [1,0,0,1,0,0|2,0,0]=4 144 B7R1.2 CN1CCC(Br)C1 Q53645 [1,0,0,1,0,0|1,0,0]=3 145 B7R1.2 CN1CCC(N)C1 C-2205 [1,0,0,1,0,0|1,0,0]=3 146 B7R1.2 CN1CCC(N)C1 O28463 [1,0,0,1,0,0|1,0,0]=3 147 B7R1.2 CN1CCC(O)C1 C-3294 [1,0,0,1,0,0|0,0,0]=2 148 B7R1.2 CN1CC[C@@H](N)C1 C-2206 [1,0,0,1,0,0|1,0,0]=3 149 B7R1.2 CN1CC[C@@H](N)C1 Q66155 [1,0,0,1,0,0|1,0,0]=3 150 B7R1.2 CN1CC[C@@H](O)C1 C-3296 [1,0,0,1,0,0|0,0,0]=2 151 B7R1.2 CN1CC[C@H](N)C1 C-2207 [1,0,0,1,0,0|1,0,0]=3 152 B7R1.2 CN1CC[C@H](N)C1 P35579 [1,0,0,1,0,0|1,0,0]=3 153 B7R1.2 CN1CC[C@H](N)C1 Q51811 [1,0,0,1,0,0|1,0,0]=3 154 B7R1.2 CN1CC[C@H](O)C1 C-3295 [1,0,0,1,0,0|0,0,0]=2 155 B7R1.2 C[C@@H]1C[C@@H](O)CN1 Q56025 [1,0,0,1,0,0|2,0,0]=4 156 B7R1.2 C[C@@H]1C[C@H](O)CN1 L14502 [1,0,0,1,0,0|2,0,0]=4 157 B7R1.2 C[C@H]1C[C@@H](O)CN1 Q56026 [1,0,0,1,0,0|2,0,0]=4 158 B7R1.2 C[C@H]1C[C@H](O)CN1 L13861 [1,0,0,1,0,0|2,0,0]=4 159 B7R1.2 NC1CCC(O)C1 G-5810 [1,0,0,1,0,0|2,0,0]=4 160 B7R1.2 N[C@@H]1CC[C@@H](O)C1 G-6580 [1,0,0,1,0,0|2,0,0]=4 161 B7R1.2 N[C@@H]1CC[C@@H](O)C1 L13346 [1,0,0,1,0,0|2,0,0]=4 162 B7R1.2 N[C@@H]1CC[C@@H](O)C1 Q57092 [1,0,0,1,0,0|2,0,0]=4 163 B7R1.2 N[C@@H]1CC[C@H](O)C1 L13208 [1,0,0,1,0,0|2,0,0]=4 164 B7R1.2 N[C@@H]1CC[C@H](O)C1 Q57094 [1,0,0,1,0,0|2,0,0]=4 165 B7R1.2 N[C@H]1CC[C@@H](O)C1 G-6579 [1,0,0,1,0,0|2,0,0]=4 166 B7R1.2 N[C@H]1CC[C@@H](O)C1 K10902 [1,0,0,1,0,0|2,0,0]=4 167 B7R1.2 N[C@H]1CC[C@@H](O)C1 L21276 [1,0,0,1,0,0|2,0,0]=4 168 B7R1.2 N[C@H]1CC[C@H](O)C1 I-9981 [1,0,0,1,0,0|2,0,0]=4 169 B7R1.2 N[C@H]1CC[C@H](O)C1 Q57093 [1,0,0,1,0,0|2,0,0]=4 170 B7R1.2 O=C1CCC(O)C1 H-8145 [1,0,0,1,0,0|2,0,0]=4 171 B7R1.2 OC1CCC(F)C1 Q55723 [1,0,0,1,0,0|2,0,0]=4 172 B7R1.2 OC1CCC(O)C1 L14091 [1,0,0,1,0,0|2,0,0]=4 173 B7R1.2 O[C@@H]1CC[C@@H](O)C1 O33251 [1,0,0,1,0,0|2,0,0]=4 174 B7R1.2 O[C@H]1CC[C@@H](O)C1 L14976 [1,0,0,1,0,0|2,0,0]=4 175 B7R1.2 O[C@H]1CC[C@H](O)C1 Q57036 [1,0,0,1,0,0|2,0,0]=4 176 B7R1.3 BrC1CCOCC1 C-3420 [1,0,0,1,0,0|2,0,0]=4 177 B7R1.3 C=C1CCOCC1 L13714 [1,0,0,1,0,0|1,0,1]=4 178 B7R1.3 IC1CCOCC1 C-3266 [1,0,0,1,0,0|2,0,0]=4 179 B7R1.3 NC1CCOCC1 B-1768 [1,0,0,1,0,0|2,0,0]=4 180 B7R1.3 NC1CCOCC1 G-5110 [1,0,0,1,0,0|2,0,0]=4 181 B7R1.3 O=C1CCOCC1 B-1770 [1,0,0,1,0,0|2,0,0]=4 182 B7R1.3 OC1CCOCC1 B-1769 [1,0,0,1,0,0|2,0,0]=4 183 B7R1.4 CC1CCNC1C Q61659 [1,0,0,1,0,0|2,0,0]=4 184 B7R1.6 BrCCN1CCC1 P49207 [1,0,0,1,0,0|1,0,0]=3 185 B7R1.6 C#CCN1CCC1 P48093 [1,0,0,1,0,0|1,0,1]=4 186 B7R1.6 C=CCN1CCC1 P45061 [1,0,0,1,0,0|1,0,1]=4 187 B7R1.6 N#CCN1CCC1 P45336 [1,0,0,1,0,0|1,0,1]=4 188 B7R1.6 NCCC1CCC1 L18182 [1,0,0,1,0,0|2,0,0]=4 189 B7R1.6 NCCC1CCC1 P48448 [1,0,0,1,0,0|2,0,0]=4 190 B7R1.6 NCCN1CCC1 L14069 [1,0,0,1,0,0|1,0,0]=3 191 B7R1.6 O=CCN1CCC1 P47882 [1,0,0,1,0,0|0,0,2]=4 192 B7R1.6 OCC=C1CCC1 P45610 [1,0,0,1,0,0|1,0,1]=4 193 B7R1.6 OCCC1CCC1 P34706 [1,0,0,1,0,0|1,0,0]=3 194 B7R1.6 OCCC1CCO1 F-4763 [1,0,0,1,0,0|2,0,0]=4 195 B7R1.6 OCCC1CNC1 L21357 [1,0,0,1,0,0|2,0,0]=4 196 B7R1.6 OCCC1CNC1 P44027 [1,0,0,1,0,0|2,0,0]=4 197 B7R1.6 OCCC1COC1 G-5285 [1,0,0,1,0,0|2,0,0]=4 198 B7R1.6 OCCC1CSC1 Q58815 [1,0,0,1,0,0|2,0,0]=4 199 B7R1.6 OCCN1CCC1 P44493 [1,0,0,1,0,0|0,0,0]=2 200 B7R1.6 OCC[C@@H]1CCO1 Q56146 [1,0,0,1,0,0|2,0,0]=4 201 B7R1.6 OCC[C@H]1CCO1 Q56145 [1,0,0,1,0,0|2,0,0]=4 202 B7R1.8 CC1CCC1CO P48346 [1,0,0,1,0,0|1,0,0]=3 203 B7R1.8 CC1OCC1CO Q56093 [1,0,0,1,0,0|2,0,0]=4 204 B7R1.8 CN1CCC1CN L18103 [1,0,0,1,0,0|1,0,0]=3 205 B7R1.8 CN1CCC1CN P43972 [1,0,0,1,0,0|1,0,0]=3 206 B7R1.8 CN1CCC1CO P47720 [1,0,0,1,0,0|0,0,0]=2 207 B7R1.8 CN1CC[C@@H]1CN L18105 [1,0,0,1,0,0|1,0,0]=3 208 B7R1.8 CN1CC[C@@H]1CN P43970 [1,0,0,1,0,0|1,0,0]=3 209 B7R1.8 CN1CC[C@@H]1CO P46629 [1,0,0,1,0,0|0,0,0]=2 210 B7R1.8 CN1CC[C@H]1CN L18104 [1,0,0,1,0,0|1,0,0]=3 211 B7R1.8 CN1CC[C@H]1CN P43971 [1,0,0,1,0,0|1,0,0]=3 212 B7R1.8 CN1CC[C@H]1CO P44139 [1,0,0,1,0,0|0,0,0]=2 213 B7R1.8 O=C1CCC1CO L18510 [1,0,0,1,0,0|2,0,0]=4 214 B7R1.8 OCC1CCC1F P47249 [1,0,0,1,0,0|2,0,0]=4 215 B7R1.8 OCC1CCC1O P50851 [1,0,0,1,0,0|2,0,0]=4 216 B7R1.8 OC[C@@H]1CC[C@H]1O P50820 [1,0,0,1,0,0|2,0,0]=4 217 B7R1.8 OC[C@H]1CC[C@H]1O P48230 [1,0,0,1,0,0|2,0,0]=4 218 B7R1.9 OC[C@H]1C[C@H]1CO L22279 [1,0,0,1,0,0|2,0,0]=4 219 B7R1.10 CCC1CC(N)C1 P48761 [1,0,0,1,0,0|2,0,0]=4 220 B7R1.10 CCN1CC(N)C1 H-8173 [1,0,0,1,0,0|1,0,0]=3 221 B7R1.10 CCN1CC(N)C1 P46517 [1,0,0,1,0,0|1,0,0]=3 222 B7R1.10 CCN1CC(O)C1 C-2413 [1,0,0,1,0,0|0,0,0]=2 223 B7R1.10 CCN1CC(O)C1 P44328 [1,0,0,1,0,0|0,0,0]=2 224 B7R1.10 CNC1CC(O)C1 G-5725 [1,0,0,1,0,0|2,0,0]=4 225 B7R1.10 CNC1CC(O)C1 P48534 [1,0,0,1,0,0|2,0,0]=4 226 B7R1.10 CN[C@H]1C[C@@H](O)C1 I-9565 [1,0,0,1,0,0|2,0,0]=4 227 B7R1.10 CN[C@H]1C[C@H](O)C1 G-7351 [1,0,0,1,0,0|2,0,0]=4 228 B7R1.10 CN[C@H]1C[C@H](O)C1 P49935 [1,0,0,1,0,0|2,0,0]=4 229 B7R1.10 COC1CC(O)C1 P48191 [1,0,0,1,0,0|2,0,0]=4 230 B7R1.10 CO[C@H]1C[C@@H](O)C1 P46991 [1,0,0,1,0,0|2,0,0]=4 231 B7R1.10 CO[C@H]1C[C@H](O)C1 P46971 [1,0,0,1,0,0|2,0,0]=4 232 B7R1.10 NCC1CC(O)C1 G-5291 [1,0,0,1,0,0|2,0,0]=4 233 B7R1.10 NCC1CC(O)C1 P47397 [1,0,0,1,0,0|2,0,0]=4 234 B7R1.10 NC[C@H]1C[C@@H](O)C1 C-2431 [1,0,0,1,0,0|2,0,0]=4 235 B7R1.10 NC[C@H]1C[C@@H](O)C1 P44178 [1,0,0,1,0,0|2,0,0]=4 236 B7R1.10 NC[C@H]1C[C@H](O)C1 C-2432 [1,0,0,1,0,0|2,0,0]=4 237 B7R1.10 NC[C@H]1C[C@H](O)C1 C-2432-01 [1,0,0,1,0,0|2,0,0]=4 238 B7R1.10 OC1CC(CBr)C1 P47356 [1,0,0,1,0,0|2,0,0]=4 239 B7R1.10 OC1CC(CF)C1 P47254 [1,0,0,1,0,0|2,0,0]=4 240 B7R1.10 OCC1CC(O)C1 P49195 [1,0,0,1,0,0|2,0,0]=4 241 B7R1.10 O[C@H]1C[C@@H](CBr)C1 P46704 [1,0,0,1,0,0|2,0,0]=4 242 B7R1.10 O[C@H]1C[C@@H](CF)C1 P46123 [1,0,0,1,0,0|2,0,0]=4 243 B7R1.10 O[C@H]1C[C@H](CBr)C1 P46014 [1,0,0,1,0,0|2,0,0]=4 244 B7R1.21 CC1(CCO)CC1 L14283 [1,0,0,1,0,0|1,0,0]=3 245 B7R1.21 OCCC1(O)CC1 O33441 [1,0,0,1,0,0|2,0,0]=4 246 B7R1.25 CC1(CBr)CCO1 Q54729 [1,0,0,1,0,0|2,0,0]=4 247 B7R1.25 CC1(CI)CCO1 Q55856 [1,0,0,1,0,0|2,0,0]=4 248 B7R1.25 CC1(CN)CCO1 Q55436 [1,0,0,1,0,0|2,0,0]=4 249 B7R1.25 CC1(CO)CCO1 Q62788 [1,0,0,1,0,0|2,0,0]=4 250 B7R1.29 NCC1(CO)CC1 P41383 [1,0,0,1,0,0|2,0,0]=4 251 B7R1.29 NCC1(CO)CC1 P44465 [1,0,0,1,0,0|2,0,0]=4 252 B9R1.1 CCC1CCC(Br)CC1 Q59703 [0,1,0,1,0,0|2,0,0]=4 253 B9R1.1 CCN1CCC(N)CC1 M22705 [0,1,0,1,0,0|1,0,0]=3 254 B9R1.1 CCN1CCC(N)CC1 P38568 [0,1,0,1,0,0|1,0,0]=3 255 B9R1.1 CCN1CCC(O)CC1 L14927 [0,1,0,1,0,0|0,0,0]=2 256 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 I-9002 [0,1,0,1,0,0|2,0,0]=4 257 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 P44754 [0,1,0,1,0,0|2,0,0]=4 258 B9R1.1 CN[C@H]1CC[C@H](O)CC1 I-9003 [0,1,0,1,0,0|2,0,0]=4 259 B9R1.1 CN[C@H]1CC[C@H](O)CC1 P44840 [0,1,0,1,0,0|2,0,0]=4 260 B9R1.1 COC1CCC(O)CC1 P40387 [0,1,0,1,0,0|2,0,0]=4 261 B9R1.1 NCC1CCC(O)CC1 P34700 [0,1,0,1,0,0|2,0,0]=4 262 B9R1.1 NCC1CCC(O)CC1 P47419 [0,1,0,1,0,0|2,0,0]=4 263 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 L21269 [0,1,0,1,0,0|2,0,0]=4 264 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 P45002 [0,1,0,1,0,0|2,0,0]=4 265 B9R1.1 NC[C@H]1CC[C@H](O)CC1 I-9344 [0,1,0,1,0,0|2,0,0]=4 266 B9R1.1 NC[C@H]1CC[C@H](O)CC1 Q52032 [0,1,0,1,0,0|2,0,0]=4 267 B9R1.1 OCC1CCC(O)CC1 P45738 [0,1,0,1,0,0|2,0,0]=4 268 B9R1.1 OC[C@H]1CC[C@@H](O)CC1 P45690 [0,1,0,1,0,0|2,0,0]=4 269 B9R1.1 OC[C@H]1CC[C@H](O)CC1 P45689 [0,1,0,1,0,0|2,0,0]=4 270 B9R1.12 BrCCCC1CCCC1 P38703 [0,1,0,1,0,0|2,0,0]=4 271 B9R1.12 C#CCCN1CCCC1 P41150 [0,1,0,1,0,0|1,0,0]=3 272 B9R1.12 CNCCC1CCCC1 P35273 [0,1,0,1,0,0|2,0,0]=4 273 B9R1.12 CNCCC1CCCC1 P35770 [0,1,0,1,0,0|2,0,0]=4 274 B9R1.12 CNCCN1CCCC1 L19572 [0,1,0,1,0,0|1,0,0]=3 275 B9R1.12 COCCC1CCCN1 G-7743 [0,1,0,1,0,0|2,0,0]=4 276 B9R1.12 ClCCCN1CCCC1 G-7779 [0,1,0,1,0,0|1,0,0]=3 277 B9R1.12 ICCCC1CCCC1 P42787 [0,1,0,1,0,0|2,0,0]=4 278 B9R1.12 NCCCC1CCCC1 O33622 [0,1,0,1,0,0|2,0,0]=4 279 B9R1.12 NCCCC1CCCC1 P37126 [0,1,0,1,0,0|2,0,0]=4 280 B9R1.12 OCCCC1CCCC1 P36172 [0,1,0,1,0,0|1,0,0]=3 281 B9R1.12 OCCC[C@@H]1CCCN1 Q57415 [0,1,0,1,0,0|2,0,0]=4 282 B9R1.15 CCN1CCNCC1=O A-474 [0,1,0,1,0,0|1,0,1]=4 283 B9R1.15 CCN1CCNC[C@H]1C O34272 [0,1,0,1,0,0|1,0,0]=3 284 B9R1.15 CCN1CCNC[C@H]1C P51493 [0,1,0,1,0,0|1,0,0]=3 285 B9R1.15 CN[C@@H]1CCOC[C@@H]1F Q63885 [0,1,0,1,0,0|2,0,0]=4 286 B9R1.15 CN[C@@H]1CCOC[C@H]1F Q63883 [0,1,0,1,0,0|2,0,0]=4 287 B9R1.15 CN[C@H]1CCOC[C@@H]1F Q63882 [0,1,0,1,0,0|2,0,0]=4 288 B9R1.15 CN[C@H]1CCOC[C@H]1F Q63884 [0,1,0,1,0,0|2,0,0]=4 289 B9R1.15 C[C@@H]1OCCN[C@H]1CO B-1259 [0,1,0,1,0,0|2,0,0]=4 290 B9R1.15 C[C@H]1OCCN[C@@H]1CO B-1258 [0,1,0,1,0,0|2,0,0]=4 291 B9R1.15 OCC1CCOCC1F Q64457 [0,1,0,1,0,0|2,0,0]=4 292 B9R1.15 OCC1CCOCC1O Q54635 [0,1,0,1,0,0|2,0,0]=4 293 B9R1.15 OC[C@@H]1CCOC[C@@H]1F Q64458 [0,1,0,1,0,0|2,0,0]=4 294 B9R1.15 OC[C@@H]1CCOC[C@H]1F Q64459 [0,1,0,1,0,0|2,0,0]=4 295 B9R1.15 OC[C@H]1CCOC[C@@H]1O Q54636 [0,1,0,1,0,0|2,0,0]=4 296 B9R1.21 OCC1CCC(CO)N1 Q61970 [0,1,0,1,0,0|2,0,0]=4 297 B9R1.70 CCN(CC)C1CNC1 O33297 [0,1,0,1,0,0|1,0,0]=3 298 B9R1.70 CCN(CC)C1CNC1 P45479 [0,1,0,1,0,0|1,0,0]=3 299 B9R1.120 CCC1(CC)CCC1=O P45707 [0,1,0,1,0,0|1,0,1]=4 300 B9R1.120 CCC1(CC)OCC1N Q55853 [0,1,0,1,0,0|1,0,0]=3 301 B9R1.132 CCN1CCC(N)C1=O Q59433 [0,1,0,1,0,0|1,0,1]=4 302 B9R1.6 CC(=O)C1CCOCC1 I-9300 [0,1,0,1,0,0|1,0,1]=4 303 B9R1.6 CC(C)C1CCNCC1 P43343 [0,1,0,1,0,0|2,0,0]=4 304 B9R1.6 CC(C)N1CCNCC1 I-9312 [0,1,0,1,0,0|1,0,0]=3 305 B9R1.6 CC(C)N1CCOCC1 O30279 [0,1,0,1,0,0|0,0,0]=2 306 B9R1.6 CC(N)C1CCCCC1 M23210 [0,1,0,1,0,0|2,0,0]=4 307 B9R1.6 CC(N)C1CCOCC1 Q66046 [0,1,0,1,0,0|1,0,0]=3 308 B9R1.6 CC(O)C1CCCCC1 P42370 [0,1,0,1,0,0|2,0,0]=4 309 B9R1.6 C[C@@H](N)C1CCOCC1 Q63002 [0,1,0,1,0,0|1,0,0]=3 310 B9R1.6 C[C@@H](N)C1CCOCC1 Q63003 [0,1,0,1,0,0|1,0,0]=3 311 B9R1.6 C[C@@H](O)C1CCOCC1 Q54596 [0,1,0,1,0,0|1,0,0]=3 312 B9R1.6 C[C@H](N)C1CCOCC1 Q63000 [0,1,0,1,0,0|1,0,0]=3 313 B9R1.6 C[C@H](N)C1CCOCC1 Q63001 [0,1,0,1,0,0|1,0,0]=3 314 B9R1.6 C[C@H](O)C1CCOCC1 Q54595 [0,1,0,1,0,0|1,0,0]=3 315 B9R1.22 CCN1CC(O)CC1=O Q59306 [0,1,0,1,0,0|0,0,1]=3 316 B9R1.24 CCN1CCOS1(=O)=O G-5852 [0,1,0,1,0,0|2,0,0]=4 317 B9R1.33 CN1CCC[C@@H]1CCO Q54913 [0,1,0,1,0,0|2,0,0]=4 318 B9R1.33 CN1CCC[C@H]1CCO Q54914 [0,1,0,1,0,0|2,0,0]=4 319 B9R1.33 NC1CCCC1CCO L19791 [0,1,0,1,0,0|1,0,0]=3 320 B9R1.33 NCCN1CCCC1=O P39375 [0,1,0,1,0,0|1,0,1]=4 321 B9R1.33 NCCN1CCOC1=O M22885 [0,1,0,1,0,0|1,0,1]=4 322 B9R1.33 O=C1CCCN1CCBr M23139 [0,1,0,1,0,0|1,0,1]=4 323 B9R1.35 CC(=O)N1CCC(I)C1 Q57221 [0,1,0,1,0,0|1,0,1]=4 324 B9R1.35 CC(=O)N1CCC(N)C1 L14137 [0,1,0,1,0,0|1,0,1]=4 325 B9R1.35 CC(=O)N1CC[C@@H](N)C1 P43139 [0,1,0,1,0,0|1,0,1]=4 326 B9R1.35 CC(=O)N1CC[C@@H](O)C1 G-5907 [0,1,0,1,0,0|0,0,1]=3 327 B9R1.35 CC(=O)N1CC[C@H](N)C1 P43073 [0,1,0,1,0,0|1,0,1]=4 328 B9R1.35 CC(C)N1CC[C@@H](N)C1 L13925 [0,1,0,1,0,0|1,0,0]=3 329 B9R1.35 CC(C)N1CC[C@H](N)C1 L13947 [0,1,0,1,0,0|1,0,0]=3 330 B9R1.35 CC(C)N1CC[C@H](N)C1 P44406 [0,1,0,1,0,0|1,0,0]=3 331 B9R1.96 CC(=O)N1CCC1CO P46183 [0,1,0,1,0,0|0,0,1]=3 332 B9R1.96 CC(=O)N1CC[C@@H]1CO P46139 [0,1,0,1,0,0|0,0,1]=3 333 B9R1.96 CC(=O)N1CC[C@H]1CO P46142 [0,1,0,1,0,0|0,0,1]=3 334 B9R1.96 CCC1CCC1C(=O)O P47971 [0,1,0,1,0,0|1,0,1]=4 335 B9R1.96 CCN1CCC1C(=O)O P48309 [0,1,0,1,0,0|0,0,1]=3 336 B9R1.96 CCN1CC[C@H]1C(=O)O L14215 [0,1,0,1,0,0|0,0,1]=3 337 B9R1.96 CN(C)C1CCC1CO P46904 [0,1,0,1,0,0|2,0,0]=4 338 B9R1.96 CN(C)[C@@H]1CC[C@H]1CO P50275 [0,1,0,1,0,0|2,0,0]=4 339 B9R1.96 CN(C)[C@H]1CC[C@H]1CO P50818 [0,1,0,1,0,0|2,0,0]=4 340 B9R1.96 O=C(O)N1CCC1CO P47009 [0,1,0,1,0,0|1,0,1]=4 341 B9R1.2 CC1CC(CN)CCO1 Q57803 [0,1,0,1,0,0|2,0,0]=4 342 B9R1.2 CC1CC(CN)CCO1 Q57804 [0,1,0,1,0,0|2,0,0]=4 343 B9R1.2 CC1CC(CO)CCO1 Q57696 [0,1,0,1,0,0|2,0,0]=4 344 B9R1.2 CCC1CC(N)CCO1 Q57607 [0,1,0,1,0,0|2,0,0]=4 345 B9R1.2 CCC1CC(O)CCO1 Q57706 [0,1,0,1,0,0|1,0,0]=3 346 B9R1.2 CCN1CCCC(N)C1 P36640 [0,1,0,1,0,0|1,0,0]=3 347 B9R1.2 CCN1CCNC(=O)C1 L21411 [0,1,0,1,0,0|0,0,2]=4 348 B9R1.2 CCN1CCN[C@@H](C)C1 O34270 [0,1,0,1,0,0|1,0,0]=3 349 B9R1.2 CCN1CCN[C@H](C)C1 P51488 [0,1,0,1,0,0|1,0,0]=3 350 B9R1.2 COC1CCCC(O)C1 L21478 [0,1,0,1,0,0|2,0,0]=4 351 B9R1.2 CO[C@@H]1CCC[C@@H](O)C1 P46941 [0,1,0,1,0,0|2,0,0]=4 352 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 P46930 [0,1,0,1,0,0|2,0,0]=4 353 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 P47713 [0,1,0,1,0,0|2,0,0]=4 354 B9R1.2 CO[C@H]1CCC[C@@H](O)C1 P46929 [0,1,0,1,0,0|2,0,0]=4 355 B9R1.2 CO[C@H]1CCC[C@H](O)C1 P45107 [0,1,0,1,0,0|2,0,0]=4 356 B9R1.2 CO[C@H]1CCC[C@H](O)C1 P46656 [0,1,0,1,0,0|2,0,0]=4 357 B9R1.2 NCC1CCCC(O)C1 P49691 [0,1,0,1,0,0|2,0,0]=4 358 B9R1.13 CC(N)CN1CCCC1 P37759 [0,1,0,1,0,0|1,0,0]=3 359 B9R1.13 CC(O)CC1CCCN1 Q59227 [0,1,0,1,0,0|2,0,0]=4 360 B9R1.13 O=C(O)CN1CCCC1 10114 [0,1,0,1,0,0|0,0,1]=3 361 B9R1.13 OB(O)CC1CCCC1 Q68859 [0,1,0,1,0,0|2,0,0]=4 362 B9R1.67 CC1CCN1CC(=O)O P47040 [0,1,0,1,0,0|0,0,1]=3 363 B9R1.67 CC1CCN1CC(=O)O P47963 [0,1,0,1,0,0|0,0,1]=3 364 B9R1.11 NCC(=O)N1CCCC1 10067 [0,1,0,1,0,0|1,0,1]=4 365 B9R1.11 NCC(=O)N1CCCC1 P38567 [0,1,0,1,0,0|1,0,1]=4 366 B9R1.14 CCN1CCCC1CN I-9237 [0,1,0,1,0,0|1,0,0]=3 367 B9R1.14 CC[C@H]1CNC[C@@H]1CO P50823 [0,1,0,1,0,0|1,0,0]=3 368 B9R1.14 CC[C@H]1CNC[C@@H]1CO Q61583 [0,1,0,1,0,0|1,0,0]=3 369 B9R1.7 CC1CCN(CCBr)C1 Q59210 [0,1,0,1,0,0|1,0,0]=3 370 B9R1.7 CC1CCN(CCO)C1 Q59221 [0,1,0,1,0,0|0,0,0]=2 371 B9R1.7 CN1CCC(CCN)C1 G-5346 [0,1,0,1,0,0|2,0,0]=4 372 B9R1.7 CN1CCC(CCO)C1 G-5270 [0,1,0,1,0,0|1,0,0]=3 373 B9R1.7 CN1CC[C@@H](CCO)C1 Q54911 [0,1,0,1,0,0|1,0,0]=3 374 B9R1.7 CN1CC[C@H](CCO)C1 Q54912 [0,1,0,1,0,0|1,0,0]=3 375 B9R1.7 N#CCN1CC[C@@H](O)C1 Q54671 [0,1,0,1,0,0|0,0,1]=3 376 B9R1.7 NC1CCN(CCF)C1 Q54946 [0,1,0,1,0,0|1,0,0]=3 377 B9R1.7 NC1CCN(CCF)C1 Q54947 [0,1,0,1,0,0|1,0,0]=3 378 B9R1.7 NCCN1CCC(O)C1 O29981 [0,1,0,1,0,0|0,0,0]=2 379 B9R1.7 N[C@@H]1CCN(CCF)C1 Q54948 [0,1,0,1,0,0|1,0,0]=3 380 B9R1.7 N[C@@H]1CCN(CCF)C1 Q54949 [0,1,0,1,0,0|1,0,0]=3 381 B9R1.7 N[C@H]1CCN(CCF)C1 Q54950 [0,1,0,1,0,0|1,0,0]=3 382 B9R1.7 OC1CCN(CCCl)C1 Q53507 [0,1,0,1,0,0|0,0,0]=2 383 B9R1.7 OC1CCN(CCCl)C1 Q53508 [0,1,0,1,0,0|0,0,0]=2 384 B9R1.7 O[C@@H]1CCN(CCCl)C1 Q53505 [0,1,0,1,0,0|0,0,0]=2 385 B9R1.7 O[C@@H]1CCN(CCCl)C1 Q53506 [0,1,0,1,0,0|0,0,0]=2 386 B9R1.7 O[C@H]1CCN(CCCl)C1 Q53503 [0,1,0,1,0,0|0,0,0]=2 387 B9R1.7 O[C@H]1CCN(CCCl)C1 Q53504 [0,1,0,1,0,0|0,0,0]=2 388 B9R1.8 BrCCC1CCCCC1 P40749 [0,1,0,1,0,0|2,0,0]=4 389 B9R1.8 BrCCC1CCOCC1 P37969 [0,1,0,1,0,0|1,0,0]=3 390 B9R1.8 C#CCN1CCOCC1 L22369 [0,1,0,1,0,0|0,0,1]=3 391 B9R1.8 CCCC1CCCNC1 Q59858 [0,1,0,1,0,0|2,0,0]=4 392 B9R1.8 CCCC1CCNCC1 M22635 [0,1,0,1,0,0|2,0,0]=4 393 B9R1.8 CCC[C@@H]1CCCCN1 Q54719 [0,1,0,1,0,0|2,0,0]=4 394 B9R1.8 CCNC1CCOCC1 M15174 [0,1,0,1,0,0|1,0,0]=3 395 B9R1.8 CCOC1CCNCC1 P42609 [0,1,0,1,0,0|2,0,0]=4 396 B9R1.8 CNCC1CCCCC1 P39298 [0,1,0,1,0,0|2,0,0]=4 397 B9R1.8 CNCC1CCCCC1 Q59474 [0,1,0,1,0,0|2,0,0]=4 398 B9R1.8 CNCC1CCOCC1 I-9263 [0,1,0,1,0,0|1,0,0]=3 399 B9R1.8 COCC1CCNCC1 L21390 [0,1,0,1,0,0|2,0,0]=4 400 B9R1.8 ClCCC1CCOCC1 Q57792 [0,1,0,1,0,0|1,0,0]=3 401 B9R1.8 FCCC1CCCNC1 Q57445 [0,1,0,1,0,0|2,0,0]=4 402 B9R1.8 FCCC1CCNCC1 Q57446 [0,1,0,1,0,0|2,0,0]=4 403 B9R1.8 FCCC1CCNCC1 Q57447 [0,1,0,1,0,0|2,0,0]=4 404 B9R1.8 FCCN1CCNCC1 H-8967 [0,1,0,1,0,0|1,0,0]=3 405 B9R1.8 FCCN1CCNCC1 P42708 [0,1,0,1,0,0|1,0,0]=3 406 B9R1.8 ICCC1CCOCC1 O29698 [0,1,0,1,0,0|1,0,0]=3 407 B9R1.8 N#CCC1CCOCC1 P35807 [0,1,0,1,0,0|1,0,1]=4 408 B9R1.8 N#CCN1CCOCC1 P37269 [0,1,0,1,0,0|0,0,1]=3 409 B9R1.8 NCCC1CCCCC1 P34723 [0,1,0,1,0,0|2,0,0]=4 410 B9R1.8 NCCC1CCCCO1 P38225 [0,1,0,1,0,0|2,0,0]=4 411 B9R1.8 NCCC1CCCOC1 S72503 [0,1,0,1,0,0|2,0,0]=4 412 B9R1.8 NCCC1CCOCC1 G-5344 [0,1,0,1,0,0|1,0,0]=3 413 B9R1.8 NCCC1CCSCC1 Q56858 [0,1,0,1,0,0|1,1,0]=4 414 B9R1.8 NNCC1CCOCC1 L20783 [0,1,0,1,0,0|2,0,0]=4 415 B9R1.8 O=CCC1CCOCC1 O30688 [0,1,0,1,0,0|1,0,1]=4 416 B9R1.8 O=CCN1CCCCC1 P37973 [0,1,0,1,0,0|0,0,2]=4 417 B9R1.8 O=CCN1CCOCC1 P39647 [0,1,0,1,0,0|0,0,1]=3 418 B9R1.8 OCCC1CCCCC1 P44676 [0,1,0,1,0,0|1,0,0]=3 419 B9R1.8 OCCC1CCCCO1 P38380 [0,1,0,1,0,0|1,0,0]=3 420 B9R1.8 OCCC1CCCNC1 P36369 [0,1,0,1,0,0|1,0,0]=3 421 B9R1.8 OCCC1CCNCC1 P45391 [0,1,0,1,0,0|1,0,0]=3 422 B9R1.8 OCCC1CCOCC1 C-3414 [0,1,0,1,0,0|1,0,0]=3 423 B9R1.8 OCCC1CCSCC1 Q56857 [0,1,0,1,0,0|1,0,0]=3 424 B9R1.8 OCCC1CNCCN1 P38723 [0,1,0,1,0,0|2,0,0]=4 425 B9R1.8 OCCC1CNCCO1 O28277 [0,1,0,1,0,0|2,0,0]=4 426 B9R1.8 OCCC1COCCN1 O27853 [0,1,0,1,0,0|2,0,0]=4 427 B9R1.8 OCC[C@@H]1CCCCN1 O33566 [0,1,0,1,0,0|1,0,0]=3 428 B9R1.8 OCC[C@@H]1CCCCO1 Q53045 [0,1,0,1,0,0|1,0,0]=3 429 B9R1.8 OCC[C@@H]1COCCN1 P35095 [0,1,0,1,0,0|2,0,0]=4 430 B9R1.8 OCC[C@H]1CNCCN1 K12326 [0,1,0,1,0,0|2,0,0]=4 431 B9R1.8 OCC[C@H]1COCCN1 P36209 [0,1,0,1,0,0|2,0,0]=4 432 B9R1.175 CCC1(CCO)COC1 Q54776 [0,1,0,1,0,0|1,0,0]=3 433 B9R1.175 COC1(CCO)CCC1 P45127 [0,1,0,1,0,0|2,0,0]=4 434 B9R1.175 COC1(CCO)COC1 Q55872 [0,1,0,1,0,0|2,0,0]=4 435 B9R1.175 NCC1(CCO)CCC1 P47087 [0,1,0,1,0,0|2,0,0]=4 436 B9R1.118 CC1(CBr)CCOCC1 Q57827 [0,1,0,1,0,0|2,0,0]=4 437 B9R1.118 CC1(CN)CCOCC1 L14134 [0,1,0,1,0,0|2,0,0]=4 438 B9R1.118 CCC1(N)CCCCC1 Q59746 [0,1,0,1,0,0|2,0,0]=4 439 B9R1.118 CCC1(N)CCOCC1 L14322 [0,1,0,1,0,0|1,0,0]=3 440 B9R1.118 CCC1(N)CCOCC1 Q61428 [0,1,0,1,0,0|1,0,0]=3 441 B9R1.118 CCC1(N)CCSCC1 Q61459 [0,1,0,1,0,0|1,1,0]=4 442 B9R1.118 CCC1(O)CCNCC1 D-2559 [0,1,0,1,0,0|2,0,0]=4 443 B9R1.118 CCC1(O)CCNCC1 L13716 [0,1,0,1,0,0|2,0,0]=4 444 B9R1.118 FC1(CBr)CCOCC1 Q64217 [0,1,0,1,0,0|2,0,0]=4 445 B9R1.118 NC1(CF)CCOCC1 Q64314 [0,1,0,1,0,0|2,0,0]=4 446 B9R1.118 NC1(CO)CCOCC1 G-6353 [0,1,0,1,0,0|2,0,0]=4 447 B9R1.118 NC1(CO)CCOCC1 G-7270 [0,1,0,1,0,0|2,0,0]=4 448 B9R1.118 NCC1(F)CCOCC1 G-7935 [0,1,0,1,0,0|2,0,0]=4 449 B9R1.118 NCC1(N)CCOCC1 Q63006 [0,1,0,1,0,0|2,0,0]=4 450 B9R1.118 NCC1(O)CCOCC1 A-569 [0,1,0,1,0,0|2,0,0]=4 451 B9R1.118 NCC1(O)CCOCC1 I-9221 [0,1,0,1,0,0|2,0,0]=4 452 B9R1.118 OC1(CBr)CCOCC1 Q64214 [0,1,0,1,0,0|2,0,0]=4 453 B9R1.118 OCC1(Cl)CCOCC1 Q64452 [0,1,0,1,0,0|2,0,0]=4 454 B9R1.118 OCC1(F)CCOCC1 G-6354 [0,1,0,1,0,0|2,0,0]=4 455 B9R1.118 OCC1(O)CCOCC1 Q64448 [0,1,0,1,0,0|2,0,0]=4 456 B9R1.134 NCCC1(O)CCCC1 P35729 [0,1,0,1,0,0|2,0,0]=4 457 B9R2.39 BrC1CC2CCC1C2 P45805 [0,0,0,2,0,0|2,0,0]=4 458 B9R2.39 NC1CC2CCC1C2 P41250 [0,0,0,2,0,0|2,0,0]=4 459 B9R2.39 NC1CC2CCC1C2 P45140 [0,0,0,2,0,0|2,0,0]=4 460 B9R2.39 N[C@@H]1C[C@@H]2CC[C@H]1C2 P45110 [0,0,0,2,0,0|2,0,0]=4 461 B9R2.39 N[C@@H]1C[C@H]2CC[C@@H]1C2 P48888 [0,0,0,2,0,0|2,0,0]=4 462 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 P45111 [0,0,0,2,0,0|2,0,0]=4 463 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 P44165 [0,0,0,2,0,0|2,0,0]=4 464 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 P49356 [0,0,0,2,0,0|2,0,0]=4 465 B9R2.39 O=C1CN2CCC1C2 P44394 [0,0,0,2,0,0|0,0,2]=4 466 B9R2.39 OC1CC2CC1CN2 L21420 [0,0,0,2,0,0|2,0,0]=4 467 B9R2.39 OC1CC2CC1CN2 P48594 [0,0,0,2,0,0|2,0,0]=4 468 B9R2.39 OC1CC2CCC1C2 P47714 [0,0,0,2,0,0|1,0,0]=3 469 B9R2.39 OC1CC2CNC1C2 L18520 [0,0,0,2,0,0|2,0,0]=4 470 B9R2.39 OC1CC2CNC1C2 P45681 [0,0,0,2,0,0|2,0,0]=4 471 B9R2.39 OC1CN2CCC1C2 P48438 [0,0,0,2,0,0|0,0,0]=2 472 B9R2.39 O[C@@H]1CN2CC[C@H]1C2 P46943 [0,0,0,2,0,0|0,0,0]=2 473 B9R2.39 O[C@@H]1C[C@@H]2CC[C@H]1N2 P47891 [0,0,0,2,0,0|2,0,0]=4 474 B9R2.39 O[C@@H]1C[C@@H]2C[C@H]1CN2 P48799 [0,0,0,2,0,0|2,0,0]=4 475 B9R2.39 O[C@@H]1C[C@H]2C[C@@H]1CN2 P47799 [0,0,0,2,0,0|2,0,0]=4 476 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1N2 L21373 [0,0,0,2,0,0|2,0,0]=4 477 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1N2 P46684 [0,0,0,2,0,0|2,0,0]=4 478 B9R2.39 O[C@H]1C[C@@H]2CN[C@H]1C2 P48210 [0,0,0,2,0,0|2,0,0]=4 479 B9R2.39 O[C@H]1C[C@@H]2C[C@H]1CN2 P48800 [0,0,0,2,0,0|2,0,0]=4 480 B9R2.39 O[C@H]1C[C@H]2CC[C@@H]1C2 P45404 [0,0,0,2,0,0|1,0,0]=3 481 B9R2.39 O[C@H]1C[C@H]2CN[C@@H]1C2 P48650 [0,0,0,2,0,0|2,0,0]=4 482 B9R2.39 O[C@H]1C[C@H]2C[C@@H]1CN2 P48155 [0,0,0,2,0,0|2,0,0]=4 483 B9R2.39 [C@@H]12CCN(C[C@@H]1N)C2 S72471 [0,0,0,2,0,0|1,0,0]=3 484 B9R2.39 [C@@H]12CCN(C[C@H]1N)C2 S72470 [0,0,0,2,0,0|1,0,0]=3 485 B9R2.39 [C@@H]12CC[C@@H](N1)[C@H](O)C2 L13369 [0,0,0,2,0,0|2,0,0]=4 486 B9R2.39 [C@H]12CC[C@H](C1)[C@@H](O)C2 K13497 [0,0,0,2,0,0|1,0,0]=3 487 B9R2.47 OC[C@@H]1C[C@@H]2O[C@@H]2C1 Q61890 [0,0,0,2,0,0|2,0,0]=4 488 B9R2.68 C1CN2CCC(C2)N1 I-9000 [0,0,0,2,0,0|1,0,0]=3 489 B9R2.68 C1CN2CCC(C2)N1 P45524 [0,0,0,2,0,0|1,0,0]=3 490 B9R2.68 C1CN2CC[C@@H](C2)N1 P44954 [0,0,0,2,0,0|1,0,0]=3 491 B9R2.68 C1CN2CC[C@@H](C2)N1 P44955 [0,0,0,2,0,0|1,0,0]=3 492 B9R2.68 C1CN2CC[C@H](C2)N1 P45076 [0,0,0,2,0,0|1,0,0]=3 493 B9R2.68 [C@H]12CCN(CCN1)C2 G-7373 [0,0,0,2,0,0|1,0,0]=3 494 B9R2.110 NC12CCC(CC1)C2 P46202 [0,0,0,2,0,0|2,0,0]=4 495 B9R2.110 OC12CCC(CC1)C2 P45527 [0,0,0,2,0,0|1,0,0]=3 496 B9R2.139 NC1CCC2(CC2)C1 Q54479 [0,0,0,2,0,0|2,0,0]=4 497 B9R2.139 OC1CCC2(CC2)C1 Q62620 [0,0,0,2,0,0|1,0,0]=3 498 B9R2.50 C1CN2CCC2CN1 H-8103 [0,0,0,2,0,0|1,0,0]=3 499 B9R2.65 OCC1C2CCOC12 Q62805 [0,0,0,2,0,0|2,0,0]=4 500 B9R2.65 OCC1C2CNCC12 G-7563 [0,0,0,2,0,0|2,0,0]=4 501 B9R2.65 OCC1C2CNCC12 O33009 [0,0,0,2,0,0|2,0,0]=4 502 B9R2.65 OCC1C2COCC12 F-4895 [0,0,0,2,0,0|2,0,0]=4 503 B9R2.65 [C@@H]12CNC[C@@H]1[C@@H]2CO Q52071 [0,0,0,2,0,0|2,0,0]=4 504 B9R2.65 [C@@H]12COC[C@@H]1C2CO H-8001 [0,0,0,2,0,0|2,0,0]=4 505 B9R2.65 [C@@H]12COC[C@@H]1C2CO H-8002 [0,0,0,2,0,0|2,0,0]=4 506 B9R2.65 [C@@H]12COC[C@@H]1[C@H]2CN H-8005 [0,0,0,2,0,0|2,0,0]=4 507 B9R2.65 [C@@H]12COC[C@@H]1[C@H]2CN P46446 [0,0,0,2,0,0|2,0,0]=4 508 B9R2.174 C1CC2(CCN1)CC2 G-6197 [0,0,0,2,0,0|2,0,0]=4 509 B9R2.174 C1CC2(CCO1)CO2 10694 [0,0,0,2,0,0|2,0,0]=4 510 B9R2.3 C1CC2CCNC2C1 Q57326 [0,0,0,2,0,0|2,0,0]=4 511 B9R2.3 C1CC2CNCC2O1 Q56578 [0,0,0,2,0,0|2,0,0]=4 512 B9R2.173 C1CC2(CCO2)CN1 C-2959 [0,0,0,2,0,0|2,0,0]=4 513 B9R2.173 C1CC2(CCO2)CN1 C-2959-1 [0,0,0,2,0,0|2,0,0]=4 514 B9R2.173 C1CC2(CCO2)CN1 Q62228 [0,0,0,2,0,0|2,0,0]=4 515 B9R2.173 C1CCC2(C1)CCN2 L14449 [0,0,0,2,0,0|2,0,0]=4 516 B9R2.173 C1C[C@@]2(CCO2)CN1 Q63336 [0,0,0,2,0,0|2,0,0]=4 517 B9R2.173 C1C[C@]2(CCO2)CN1 Q63335 [0,0,0,2,0,0|2,0,0]=4