0 B5R0.2 BrCC#CCBr O31222 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.2 C#CCCCI P39399 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.2 C#CCCCO P37563 [0,0,0,0,0,0|0,0,2]=2 3 B5R0.2 C#CCCNC L20446 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.2 C#CCNCC P37598 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.2 C#CCOCC O29883 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.2 CCNCCCl L21040 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.2 CNCCSC M23087 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.2 CSCCCN P39434 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.2 NCC#CCN L19650 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.2 NCC#CCO L20035 [0,0,0,0,0,0|1,0,2]=3 11 B5R0.2 NCCCCS L19142 [0,0,0,0,0,0|1,1,0]=2 12 B5R0.2 [N-]=[N+]=NCCN P42423 [0,0,0,0,0,0|4,0,0]=4 13 B5R0.2 [N-]=[N+]=NCCO P41031 [0,0,0,0,0,0|3,0,0]=3 14 B4R0.2 C#CCCI P38108 [1,0,0,0,0,0|1,0,2]=4 15 B4R0.2 C#CCCN O34440 [1,0,0,0,0,0|1,0,2]=4 16 B4R0.2 C#CCNC P38619 [1,0,0,0,0,0|1,0,2]=4 17 B4R0.2 C#COCC P35055 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.2 C=CCCN L22153 [1,0,0,0,0,0|1,0,2]=4 19 B4R0.2 CC#CCBr P38739 [1,0,0,0,0,0|1,0,2]=4 20 B4R0.2 CCCNN O30752 [1,0,0,0,0,0|2,0,0]=3 21 B4R0.2 CNCCBr O34465 [1,0,0,0,0,0|2,0,0]=3 22 B4R0.2 COCC=O F-4461 [1,0,0,0,0,0|1,0,2]=4 23 B4R0.2 COCCI O28025 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.2 CSCCBr O31085 [1,0,0,0,0,0|2,0,0]=3 25 B4R0.2 CSCCN P36563 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.2 NCCCS A-986 [1,0,0,0,0,0|1,1,0]=3 27 B4R0.2 NCCCS M15465 [1,0,0,0,0,0|1,1,0]=3 28 B6R0.1 C#CC(O)CCC P42817 [0,1,0,0,0,0|1,0,1]=3 29 B6R0.1 CCC(=O)CC#N P38761 [0,1,0,0,0,0|1,0,2]=4 30 B6R0.1 CCC(S)CCO O29430 [0,1,0,0,0,0|0,0,0]=1 31 B6R0.1 CCC[C@@H](N)CO P35977 [0,1,0,0,0,0|0,0,0]=1 32 B6R0.1 CCC[C@H](N)CO P39535 [0,1,0,0,0,0|0,0,0]=1 33 B6R0.1 CCN(C)CCO Q66070 [0,1,0,0,0,0|1,0,0]=2 34 B6R0.1 CCNC(=O)CN P39222 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.1 CCNC(=O)CO O31312 [0,1,0,0,0,0|1,0,1]=3 36 B6R0.1 CCOC(=N)CCl P38507 [0,1,0,0,0,0|2,0,1]=4 37 B6R0.1 CNC(=O)CCCl P38167 [0,1,0,0,0,0|2,0,1]=4 38 B6R0.1 CNC(=O)CCN P37692 [0,1,0,0,0,0|2,0,1]=4 39 B6R0.4 C#CCCC(C)O L18987 [0,1,0,0,0,0|0,0,2]=3 40 B6R0.4 C#CCNC(C)C L20531 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.4 C#CCOC(C)C O29863 [0,1,0,0,0,0|2,0,1]=4 42 B6R0.4 CC(Br)CCC#N L20214 [0,1,0,0,0,0|1,0,1]=3 43 B6R0.4 CC(C)CCON L20789 [0,1,0,0,0,0|2,0,0]=3 44 B6R0.4 CC(C)NCC#N O29997 [0,1,0,0,0,0|2,0,1]=4 45 B6R0.4 CC(C)NCC#N O32001 [0,1,0,0,0,0|2,0,1]=4 46 B6R0.4 CC(C)NCCCl O34399 [0,1,0,0,0,0|2,0,0]=3 47 B6R0.4 CCNCC(=O)O P37534 [0,1,0,0,0,0|1,0,1]=3 48 B6R0.4 CCNCC(N)=O P36580 [0,1,0,0,0,0|1,0,2]=4 49 B6R0.4 CN(C)CCCBr O34500 [0,1,0,0,0,0|2,0,0]=3 50 B6R0.4 CNCCC(=O)O P36779 [0,1,0,0,0,0|1,0,1]=3 51 B6R0.4 CNCCC(=O)O P39205 [0,1,0,0,0,0|1,0,1]=3 52 B6R0.4 CNCCC(C)O P38146 [0,1,0,0,0,0|1,0,0]=2 53 B6R0.4 CNCCC(N)=O P37896 [0,1,0,0,0,0|1,0,2]=4 54 B6R0.6 BrCCNCCBr M15186 [0,1,0,0,0,0|2,0,0]=3 55 B6R0.6 C#CCCCCI P39398 [0,1,0,0,0,0|1,0,1]=3 56 B6R0.6 C#CCCCCN O31570 [0,1,0,0,0,0|1,0,1]=3 57 B6R0.6 C#CCCCNC L19187 [0,1,0,0,0,0|1,0,1]=3 58 B6R0.6 C#CCOCCN P42183 [0,1,0,0,0,0|1,0,2]=4 59 B6R0.6 CNCCCCN L19491 [0,1,0,0,0,0|1,0,0]=2 60 B6R0.6 CNCCCOC P37437 [0,1,0,0,0,0|1,0,0]=2 61 B6R0.6 COCCCCN O29739 [0,1,0,0,0,0|1,0,0]=2 62 B6R0.6 NCCOCCN P39125 [0,1,0,0,0,0|2,0,0]=3 63 B6R0.6 OCCOCCBr P37296 [0,1,0,0,0,0|1,0,0]=2 64 B6R0.6 OCCOCCI P41754 [0,1,0,0,0,0|1,0,0]=2 65 B6R0.6 [N-]=[N+]=NCCCN M23188 [0,1,0,0,0,0|3,0,0]=4 66 B6R0.6 [N-]=[N+]=NCCCO Q66001 [0,1,0,0,0,0|2,0,0]=3 67 B6R1.1 C1=CCNCC1 C-2421 [0,0,0,1,0,0|1,0,2]=4 68 B6R1.1 C1=CCOCC1 G-7030 [0,0,0,1,0,0|0,0,2]=3 69 B6R1.2 BrC1CCOC1 C-3309 [0,0,0,1,0,0|2,0,0]=3 70 B6R1.2 CC1CCCN1 Q61737 [0,0,0,1,0,0|1,0,0]=2 71 B6R1.2 CC1CCNC1 M22664 [0,0,0,1,0,0|2,0,0]=3 72 B6R1.2 C[C@@H]1CCCN1 L14631 [0,0,0,1,0,0|1,0,0]=2 73 B6R1.2 C[C@@H]1CCNC1 L13628 [0,0,0,1,0,0|2,0,0]=3 74 B6R1.2 C[C@H]1CCNC1 L14084 [0,0,0,1,0,0|2,0,0]=3 75 B6R1.2 ClC1CCNC1 P42791 [0,0,0,1,0,0|2,0,0]=3 76 B6R1.2 FC1CCNC1 A-349 [0,0,0,1,0,0|2,0,0]=3 77 B6R1.2 FC1CCNC1 C-2208 [0,0,0,1,0,0|2,0,0]=3 78 B6R1.2 FC1CCNC1 P51370 [0,0,0,1,0,0|2,0,0]=3 79 B6R1.2 F[C@@H]1CCNC1 O33274 [0,0,0,1,0,0|2,0,0]=3 80 B6R1.2 F[C@H]1CCNC1 A-348 [0,0,0,1,0,0|2,0,0]=3 81 B6R1.2 F[C@H]1CCNC1 L22005 [0,0,0,1,0,0|2,0,0]=3 82 B6R1.2 IC1CCCC1 I-9679 [0,0,0,1,0,0|1,0,0]=2 83 B6R1.2 IC1CCOC1 C-3308 [0,0,0,1,0,0|2,0,0]=3 84 B6R1.2 I[C@@H]1CCOC1 G-5348 [0,0,0,1,0,0|2,0,0]=3 85 B6R1.2 I[C@H]1CCOC1 G-5349 [0,0,0,1,0,0|2,0,0]=3 86 B6R1.2 NC1CC=CC1 F-4367 [0,0,0,1,0,0|1,0,2]=4 87 B6R1.2 NC1CC=CC1 Q57040 [0,0,0,1,0,0|1,0,2]=4 88 B6R1.2 NC1CCOC1 B-1171 [0,0,0,1,0,0|2,0,0]=3 89 B6R1.2 NC1CCOC1 P39935 [0,0,0,1,0,0|2,0,0]=3 90 B6R1.2 NN1CCCC1 M23462 [0,0,0,1,0,0|2,0,0]=3 91 B6R1.2 N[C@@H]1CCOC1 F-4072 [0,0,0,1,0,0|2,0,0]=3 92 B6R1.2 N[C@@H]1CCOC1 G-5144 [0,0,0,1,0,0|2,0,0]=3 93 B6R1.2 N[C@H]1CCOC1 F-4071 [0,0,0,1,0,0|2,0,0]=3 94 B6R1.2 N[C@H]1CCOC1 G-5145 [0,0,0,1,0,0|2,0,0]=3 95 B6R1.2 O=C1CCNC1 C-2247 [0,0,0,1,0,0|1,0,2]=4 96 B6R1.2 O=C1CCNC1 S72535 [0,0,0,1,0,0|1,0,2]=4 97 B6R1.2 O=C1CCOC1 B-1767 [0,0,0,1,0,0|1,0,2]=4 98 B6R1.2 O=C1CCSC1 G-7753 [0,0,0,1,0,0|1,0,2]=4 99 B6R1.2 OC1C=CCC1 Q62924 [0,0,0,1,0,0|0,0,2]=3 100 B6R1.2 OC1CCNC1 G-5959 [0,0,0,1,0,0|1,0,0]=2 101 B6R1.2 OC1CCNC1 I-9548 [0,0,0,1,0,0|1,0,0]=2 102 B6R1.2 OC1CCOC1 C-3328 [0,0,0,1,0,0|1,0,0]=2 103 B6R1.2 O[C@@H]1CCOC1 G-5347 [0,0,0,1,0,0|1,0,0]=2 104 B6R1.2 O[C@H]1CCOC1 G-6766 [0,0,0,1,0,0|1,0,0]=2 105 B6R1.2 S=C1NCCO1 O31137 [0,0,0,1,0,0|2,0,1]=4 106 B6R1.3 BrCCC1CC1 O33551 [0,0,0,1,0,0|1,0,0]=2 107 B6R1.3 BrCC[C@H]1CO1 P51572 [0,0,0,1,0,0|1,0,0]=2 108 B6R1.3 CCNC1CC1 P36705 [0,0,0,1,0,0|2,0,0]=3 109 B6R1.3 CNCC1CC1 L13551 [0,0,0,1,0,0|2,0,0]=3 110 B6R1.3 ICCC1CC1 I-9916 [0,0,0,1,0,0|1,0,0]=2 111 B6R1.3 N#CCC1CC1 O33326 [0,0,0,1,0,0|1,0,1]=3 112 B6R1.3 NCCC1CC1 G-5988 [0,0,0,1,0,0|1,0,0]=2 113 B6R1.3 NCCN1CC1 P45652 [0,0,0,1,0,0|2,0,0]=3 114 B6R1.3 NNCC1CC1 H-8575 [0,0,0,1,0,0|2,0,0]=3 115 B6R1.3 NNCC1CC1 I-9542 [0,0,0,1,0,0|2,0,0]=3 116 B6R1.3 NNCC1CC1 K12084 [0,0,0,1,0,0|2,0,0]=3 117 B6R1.3 NNCC1CC1 L13728 [0,0,0,1,0,0|2,0,0]=3 118 B6R1.3 OCCC1CC1 G-5984 [0,0,0,1,0,0|0,0,0]=1 119 B6R1.4 CC1CCC1=O P47956 [0,0,0,1,0,0|0,0,2]=3 120 B6R1.4 CC1CCC1N P44937 [0,0,0,1,0,0|1,0,0]=2 121 B6R1.4 CC1CCC1N P47065 [0,0,0,1,0,0|1,0,0]=2 122 B6R1.4 CC1CCC1O L20058 [0,0,0,1,0,0|0,0,0]=1 123 B6R1.4 CC1CNC1C P45190 [0,0,0,1,0,0|2,0,0]=3 124 B6R1.4 CC1CNC1C P46961 [0,0,0,1,0,0|2,0,0]=3 125 B6R1.4 CC1NCC1F P47439 [0,0,0,1,0,0|2,0,0]=3 126 B6R1.4 CC1NCC1F P47451 [0,0,0,1,0,0|2,0,0]=3 127 B6R1.4 CC1NCC1O P44849 [0,0,0,1,0,0|1,0,0]=2 128 B6R1.4 CC1NCC1O P44851 [0,0,0,1,0,0|1,0,0]=2 129 B6R1.4 CC1OCC1=O L18036 [0,0,0,1,0,0|1,0,2]=4 130 B6R1.4 CC1OCC1Br Q56171 [0,0,0,1,0,0|2,0,0]=3 131 B6R1.4 CC1OCC1I Q56172 [0,0,0,1,0,0|2,0,0]=3 132 B6R1.4 CC1OCC1N Q56170 [0,0,0,1,0,0|2,0,0]=3 133 B6R1.4 CC1OCC1O L18037 [0,0,0,1,0,0|1,0,0]=2 134 B6R1.4 C[C@@H]1NCC1F P50109 [0,0,0,1,0,0|2,0,0]=3 135 B6R1.4 C[C@@H]1NCC1O P47321 [0,0,0,1,0,0|1,0,0]=2 136 B6R1.4 C[C@@H]1NC[C@@H]1F P50877 [0,0,0,1,0,0|2,0,0]=3 137 B6R1.4 C[C@@H]1NC[C@@H]1F P50878 [0,0,0,1,0,0|2,0,0]=3 138 B6R1.4 C[C@@H]1NC[C@@H]1O P46638 [0,0,0,1,0,0|1,0,0]=2 139 B6R1.4 C[C@@H]1NC[C@@H]1O P48644 [0,0,0,1,0,0|1,0,0]=2 140 B6R1.4 C[C@@H]1NC[C@@H]1O P48652 [0,0,0,1,0,0|1,0,0]=2 141 B6R1.4 C[C@@H]1NC[C@@H]1O P50879 [0,0,0,1,0,0|1,0,0]=2 142 B6R1.4 C[C@@H]1NC[C@H]1F P50880 [0,0,0,1,0,0|2,0,0]=3 143 B6R1.4 C[C@@H]1NC[C@H]1F P50881 [0,0,0,1,0,0|2,0,0]=3 144 B6R1.4 C[C@@H]1NC[C@H]1O P46945 [0,0,0,1,0,0|1,0,0]=2 145 B6R1.4 C[C@@H]1NC[C@H]1O P48643 [0,0,0,1,0,0|1,0,0]=2 146 B6R1.4 C[C@@H]1NC[C@H]1O P48651 [0,0,0,1,0,0|1,0,0]=2 147 B6R1.4 C[C@@H]1OC[C@H]1O Q56119 [0,0,0,1,0,0|1,0,0]=2 148 B6R1.4 C[C@H]1NCC1F P50084 [0,0,0,1,0,0|2,0,0]=3 149 B6R1.4 C[C@H]1NCC1O P50087 [0,0,0,1,0,0|1,0,0]=2 150 B6R1.4 C[C@H]1NC[C@@H]1F P50079 [0,0,0,1,0,0|2,0,0]=3 151 B6R1.4 C[C@H]1NC[C@@H]1O P50080 [0,0,0,1,0,0|1,0,0]=2 152 B6R1.4 C[C@H]1NC[C@H]1F P50081 [0,0,0,1,0,0|2,0,0]=3 153 B6R1.4 C[C@H]1NC[C@H]1O P50082 [0,0,0,1,0,0|1,0,0]=2 154 B6R1.4 C[C@H]1NC[C@H]1O P50119 [0,0,0,1,0,0|1,0,0]=2 155 B6R1.4 C[C@H]1OC[C@H]1O Q56118 [0,0,0,1,0,0|1,0,0]=2 156 B6R1.4 NC1CCC1F P47239 [0,0,0,1,0,0|2,0,0]=3 157 B6R1.4 NC1CCC1F Q56123 [0,0,0,1,0,0|2,0,0]=3 158 B6R1.4 NC1CCC1O P45290 [0,0,0,1,0,0|1,0,0]=2 159 B6R1.4 NC1CCC1O P48134 [0,0,0,1,0,0|1,0,0]=2 160 B6R1.4 N[C@@H]1CC[C@@H]1O P43811 [0,0,0,1,0,0|1,0,0]=2 161 B6R1.4 N[C@@H]1CC[C@@H]1O P45279 [0,0,0,1,0,0|1,0,0]=2 162 B6R1.4 N[C@@H]1CC[C@@H]1O P45323 [0,0,0,1,0,0|1,0,0]=2 163 B6R1.4 N[C@@H]1CC[C@H]1O P45283 [0,0,0,1,0,0|1,0,0]=2 164 B6R1.4 N[C@@H]1CC[C@H]1O P46699 [0,0,0,1,0,0|1,0,0]=2 165 B6R1.4 N[C@@H]1CC[C@H]1O P46700 [0,0,0,1,0,0|1,0,0]=2 166 B6R1.4 N[C@@H]1CC[C@H]1O P47798 [0,0,0,1,0,0|1,0,0]=2 167 B6R1.4 N[C@H]1CC[C@@H]1O O33030 [0,0,0,1,0,0|1,0,0]=2 168 B6R1.4 N[C@H]1CC[C@@H]1O P46969 [0,0,0,1,0,0|1,0,0]=2 169 B6R1.4 N[C@H]1CC[C@H]1O P45237 [0,0,0,1,0,0|1,0,0]=2 170 B6R1.4 N[C@H]1CC[C@H]1O P46397 [0,0,0,1,0,0|1,0,0]=2 171 B6R1.4 O=C1CCC1Br P49445 [0,0,0,1,0,0|1,0,2]=4 172 B6R1.4 O=C1CCC1O P47312 [0,0,0,1,0,0|1,0,1]=3 173 B6R1.4 O=C1NCC1O P45440 [0,0,0,1,0,0|2,0,1]=4 174 B6R1.4 OC1CCC1F P46352 [0,0,0,1,0,0|1,0,0]=2 175 B6R1.4 OC1CCC1O P50009 [0,0,0,1,0,0|1,0,0]=2 176 B6R1.4 O[C@@H]1CC[C@H]1O P45708 [0,0,0,1,0,0|1,0,0]=2 177 B6R1.4 O[C@H]1CC[C@H]1O P45709 [0,0,0,1,0,0|1,0,0]=2 178 B6R1.6 BrCC1CCO1 F-4066 [0,0,0,1,0,0|1,0,0]=2 179 B6R1.6 BrCC1CNC1 P50070 [0,0,0,1,0,0|2,0,0]=3 180 B6R1.6 BrCC1COC1 L21563 [0,0,0,1,0,0|2,0,0]=3 181 B6R1.6 C#CC1CCC1 P45543 [0,0,0,1,0,0|1,0,1]=3 182 B6R1.6 C#CC1CCO1 Q62777 [0,0,0,1,0,0|0,0,2]=3 183 B6R1.6 C#CC1CNC1 L21439 [0,0,0,1,0,0|2,0,1]=4 184 B6R1.6 C#CC1COC1 O33083 [0,0,0,1,0,0|2,0,1]=4 185 B6R1.6 CCC1CCN1 P47056 [0,0,0,1,0,0|1,0,0]=2 186 B6R1.6 CCC1CCN1 P48764 [0,0,0,1,0,0|1,0,0]=2 187 B6R1.6 CCC1CNC1 P45196 [0,0,0,1,0,0|2,0,0]=3 188 B6R1.6 CCC1CNC1 P47098 [0,0,0,1,0,0|2,0,0]=3 189 B6R1.6 CNC1CCC1 O34360 [0,0,0,1,0,0|2,0,0]=3 190 B6R1.6 CNC1CCC1 P45733 [0,0,0,1,0,0|2,0,0]=3 191 B6R1.6 CNC1CNC1 M22665 [0,0,0,1,0,0|3,0,0]=4 192 B6R1.6 CNC1CNC1 P45899 [0,0,0,1,0,0|3,0,0]=4 193 B6R1.6 CNC1COC1 C-2465 [0,0,0,1,0,0|3,0,0]=4 194 B6R1.6 COC1CNC1 D-2560 [0,0,0,1,0,0|3,0,0]=4 195 B6R1.6 COC1CNC1 P44584 [0,0,0,1,0,0|3,0,0]=4 196 B6R1.6 CSC1CNC1 C-2301 [0,0,0,1,0,0|3,0,0]=4 197 B6R1.6 CSC1CNC1 L13623 [0,0,0,1,0,0|3,0,0]=4 198 B6R1.6 ClCC1CCC1 M23070 [0,0,0,1,0,0|1,0,0]=2 199 B6R1.6 ClCC1CNC1 P50271 [0,0,0,1,0,0|2,0,0]=3 200 B6R1.6 ClCC1COC1 P45001 [0,0,0,1,0,0|2,0,0]=3 201 B6R1.6 FCC1CCN1 P47490 [0,0,0,1,0,0|2,0,0]=3 202 B6R1.6 FCC1CNC1 O32400 [0,0,0,1,0,0|2,0,0]=3 203 B6R1.6 FCC1CNC1 O32401 [0,0,0,1,0,0|2,0,0]=3 204 B6R1.6 FC[C@@H]1CCN1 P45171 [0,0,0,1,0,0|2,0,0]=3 205 B6R1.6 FC[C@H]1CCN1 P47579 [0,0,0,1,0,0|2,0,0]=3 206 B6R1.6 ICC1CCC1 H-8778 [0,0,0,1,0,0|1,0,0]=2 207 B6R1.6 ICC1CCO1 G-7249 [0,0,0,1,0,0|1,0,0]=2 208 B6R1.6 ICC1COC1 G-5215 [0,0,0,1,0,0|2,0,0]=3 209 B6R1.6 N#CC1CCC1 G-7033 [0,0,0,1,0,0|1,0,1]=3 210 B6R1.6 N#CC1CCN1 P45204 [0,0,0,1,0,0|2,0,1]=4 211 B6R1.6 N#CC1CCN1 P46449 [0,0,0,1,0,0|2,0,1]=4 212 B6R1.6 N#CC1CNC1 C-3276 [0,0,0,1,0,0|2,0,1]=4 213 B6R1.6 N#CC1CNC1 P45269 [0,0,0,1,0,0|2,0,1]=4 214 B6R1.6 N#CC1COC1 Q70102 [0,0,0,1,0,0|2,0,1]=4 215 B6R1.6 N#CC1CSC1 Q64307 [0,0,0,1,0,0|2,0,1]=4 216 B6R1.6 N#C[C@@H]1CCN1 L14917 [0,0,0,1,0,0|2,0,1]=4 217 B6R1.6 N#C[C@@H]1CCN1 P47568 [0,0,0,1,0,0|2,0,1]=4 218 B6R1.6 N#C[C@H]1CCN1 P45978 [0,0,0,1,0,0|2,0,1]=4 219 B6R1.6 N#C[C@H]1CCN1 P47634 [0,0,0,1,0,0|2,0,1]=4 220 B6R1.6 NCC1CCC1 C-2308 [0,0,0,1,0,0|1,0,0]=2 221 B6R1.6 NCC1CCC1 L13986 [0,0,0,1,0,0|1,0,0]=2 222 B6R1.6 NCC1CCN1 G-5892 [0,0,0,1,0,0|2,0,0]=3 223 B6R1.6 NCC1CCN1 P49927 [0,0,0,1,0,0|2,0,0]=3 224 B6R1.6 NCC1CCO1 F-4044 [0,0,0,1,0,0|1,0,0]=2 225 B6R1.6 NCC1CCS1 Q58811 [0,0,0,1,0,0|1,1,0]=3 226 B6R1.6 NCC1CNC1 P39611 [0,0,0,1,0,0|2,0,0]=3 227 B6R1.6 NCC1CNC1 P49682 [0,0,0,1,0,0|2,0,0]=3 228 B6R1.6 NCC1COC1 C-2244 [0,0,0,1,0,0|2,0,0]=3 229 B6R1.6 NCC1COC1 L21567 [0,0,0,1,0,0|2,0,0]=3 230 B6R1.6 NCC1CSC1 G-7410 [0,0,0,1,0,0|2,0,0]=3 231 B6R1.6 NCC1CSC1 H-8020 [0,0,0,1,0,0|2,0,0]=3 232 B6R1.6 NC[C@@H]1CCO1 Q56226 [0,0,0,1,0,0|1,0,0]=2 233 B6R1.6 NC[C@H]1CCO1 Q64388 [0,0,0,1,0,0|1,0,0]=2 234 B6R1.6 NNC1CCC1 O30528 [0,0,0,1,0,0|2,0,0]=3 235 B6R1.6 NNC1CCC1 O31125 [0,0,0,1,0,0|2,0,0]=3 236 B6R1.6 NNC1CCC1 P44553 [0,0,0,1,0,0|2,0,0]=3 237 B6R1.6 NNC1CNC1 O29510 [0,0,0,1,0,0|3,0,0]=4 238 B6R1.6 NNC1CSC1 O30925 [0,0,0,1,0,0|3,0,0]=4 239 B6R1.6 NNC1CSC1 Q59094 [0,0,0,1,0,0|3,0,0]=4 240 B6R1.6 NOC1COC1 Q52188 [0,0,0,1,0,0|3,0,0]=4 241 B6R1.6 O=CC1COC1 L21547 [0,0,0,1,0,0|1,0,2]=4 242 B6R1.6 OCC1CCN1 G-7151 [0,0,0,1,0,0|1,0,0]=2 243 B6R1.6 OCC1CCO1 F-4043 [0,0,0,1,0,0|1,0,0]=2 244 B6R1.6 OCC1CNC1 A-421 [0,0,0,1,0,0|1,0,0]=2 245 B6R1.6 OCC1CNC1 L14018 [0,0,0,1,0,0|1,0,0]=2 246 B6R1.6 OCC1COC1 C-2291 [0,0,0,1,0,0|1,0,0]=2 247 B6R1.6 OCC1CSC1 H-8021 [0,0,0,1,0,0|1,0,0]=2 248 B6R1.6 OC[C@@H]1CCN1 B-1106 [0,0,0,1,0,0|1,0,0]=2 249 B6R1.6 OC[C@@H]1CCN1 P36030 [0,0,0,1,0,0|1,0,0]=2 250 B6R1.6 OC[C@@H]1CCO1 Q56225 [0,0,0,1,0,0|1,0,0]=2 251 B6R1.6 OC[C@H]1CCN1 B-1105 [0,0,0,1,0,0|1,0,0]=2 252 B6R1.6 OC[C@H]1CCN1 P35007 [0,0,0,1,0,0|1,0,0]=2 253 B6R1.6 OC[C@H]1CCO1 Q53294 [0,0,0,1,0,0|1,0,0]=2 254 B6R1.6 ON=C1CCC1 P45801 [0,0,0,1,0,0|1,0,1]=3 255 B6R1.6 SCC1CNC1 P46721 [0,0,0,1,0,0|1,1,0]=3 256 B6R1.8 C[C@H]1C[C@H]1CO P43750 [0,0,0,1,0,0|0,0,0]=1 257 B3R0.1 CCNN H-8579 [2,0,0,0,0,0|2,0,0]=4 258 B3R0.1 CCNN O31940 [2,0,0,0,0,0|2,0,0]=4 259 B5R0.1 CC(N)CCO P39048 [1,1,0,0,0,0|0,0,0]=2 260 B5R0.1 CC(O)CCN M22972 [1,1,0,0,0,0|1,0,0]=3 261 B5R0.1 CC(O)CON M15150 [1,1,0,0,0,0|2,0,0]=4 262 B5R0.1 CCC[C@H](C)N I-9318 [1,1,0,0,0,0|0,0,0]=2 263 B5R0.1 CNCC(C)O P40721 [1,1,0,0,0,0|1,0,0]=3 264 B5R0.1 CNCC(F)F P41399 [1,1,0,0,0,0|2,0,0]=4 265 B5R0.1 CNC[C@@H](C)O P41738 [1,1,0,0,0,0|1,0,0]=3 266 B5R0.1 CNC[C@H](C)O P36531 [1,1,0,0,0,0|1,0,0]=3 267 B5R0.1 COCC(C)Br O32164 [1,1,0,0,0,0|1,0,0]=3 268 B5R0.1 C[C@@H](N)CCO F-4752 [1,1,0,0,0,0|0,0,0]=2 269 B5R0.1 C[C@H](N)CC#N Q66038 [1,1,0,0,0,0|1,0,1]=4 270 B5R0.1 C[C@H](N)CCO F-4570 [1,1,0,0,0,0|0,0,0]=2 271 B5R0.1 O=C(O)CCF A-698 [1,1,0,0,0,0|1,0,1]=4 272 B5R0.1 OCCC(F)F P45589 [1,1,0,0,0,0|1,0,0]=3 273 B5R0.3 C#CC(O)CC P38163 [1,1,0,0,0,0|0,0,2]=4 274 B5R0.3 CC(CBr)CBr O34172 [1,1,0,0,0,0|2,0,0]=4 275 B5R0.3 CC(CN)CO O30604 [1,1,0,0,0,0|1,0,0]=3 276 B5R0.3 CCC(C)NN O30637 [1,1,0,0,0,0|2,0,0]=4 277 B5R0.3 CNC(=O)CO P37539 [1,1,0,0,0,0|1,0,1]=4 278 B5R0.3 CNC(C)CO M23268 [1,1,0,0,0,0|1,0,0]=3 279 B5R0.3 CN[C@@H](C)CO P38191 [1,1,0,0,0,0|1,0,0]=3 280 B5R0.3 CN[C@H](C)CO P41018 [1,1,0,0,0,0|1,0,0]=3 281 B5R0.3 COC(C)CN P36510 [1,1,0,0,0,0|2,0,0]=4 282 B5R0.3 NCC(O)CF M23924 [1,1,0,0,0,0|2,0,0]=4 283 B5R0.3 NC[C@@H](F)CO L22313 [1,1,0,0,0,0|1,0,0]=3 284 B5R0.3 NC[C@@H](O)CCl Q69638 [1,1,0,0,0,0|2,0,0]=4 285 B5R0.3 NC[C@H](F)CO O33576 [1,1,0,0,0,0|1,0,0]=3 286 B7R0.2 CCC(=O)CC(=O)O P43007 [0,2,0,0,0,0|0,0,2]=4 287 B7R0.2 CC[C@@H](N)CC(=O)O M23217 [0,2,0,0,0,0|0,0,1]=3 288 B7R0.2 CC[C@H](N)CC(=O)O M23203 [0,2,0,0,0,0|0,0,1]=3 289 B7R0.2 CC[C@H](N)CN(C)C Q66181 [0,2,0,0,0,0|2,0,0]=4 290 B7R0.2 NCC(O)CC(=O)O P35068 [0,2,0,0,0,0|1,0,1]=4 291 B7R0.2 N[C@@H](CO)CC(=O)O Q68983 [0,2,0,0,0,0|1,0,1]=4 292 B7R0.2 N[C@@H](CO)CC(=O)O Q68986 [0,2,0,0,0,0|1,0,1]=4 293 B7R0.2 N[C@H](CO)CC(=O)O Q68987 [0,2,0,0,0,0|1,0,1]=4 294 B7R0.2 N[C@H](CO)CC(=O)O Q68989 [0,2,0,0,0,0|1,0,1]=4 295 B7R0.3 CCCC[C@@H](N)CO P35979 [0,2,0,0,0,0|0,0,0]=2 296 B7R0.3 CCCC[C@H](N)CO P35978 [0,2,0,0,0,0|0,0,0]=2 297 B7R0.3 CCCNC(=O)CN P36648 [0,2,0,0,0,0|1,0,1]=4 298 B7R0.3 CCOCC(O)CN L19068 [0,2,0,0,0,0|1,0,0]=3 299 B7R0.3 CNC(=O)CCCN P40550 [0,2,0,0,0,0|1,0,1]=4 300 B7R0.3 CNCCC(=O)OC P36826 [0,2,0,0,0,0|1,0,1]=4 301 B7R0.3 CSCCC(N)CO P37819 [0,2,0,0,0,0|0,0,0]=2 302 B7R0.5 CC(C)[C@H](N)CCO Q69023 [0,2,0,0,0,0|0,0,0]=2 303 B7R0.5 CCCC(C)C(C)N L19280 [0,2,0,0,0,0|1,0,0]=3 304 B7R0.5 CCC[C@H](O)C(=O)O P51274 [0,2,0,0,0,0|0,0,1]=3 305 B7R0.5 CCNC(C)C(=O)O P36832 [0,2,0,0,0,0|1,0,1]=4 306 B7R0.5 CCN[C@@H](C)C(=O)O P36816 [0,2,0,0,0,0|1,0,1]=4 307 B7R0.5 CCN[C@H](C)C(=O)O P35138 [0,2,0,0,0,0|1,0,1]=4 308 B7R0.5 COC[C@@H](N)C(=O)O P35719 [0,2,0,0,0,0|1,0,1]=4 309 B7R0.5 COC[C@H](N)C(=O)O P38808 [0,2,0,0,0,0|1,0,1]=4 310 B7R0.5 N[C@@H](CCBr)C(=O)O P41033 [0,2,0,0,0,0|1,0,1]=4 311 B7R0.5 N[C@@H](CCS)C(=O)O A-694 [0,2,0,0,0,0|1,0,1]=4 312 B7R0.7 CCCN(C)CCO Q66069 [0,2,0,0,0,0|0,0,0]=2 313 B7R0.7 CCNC(=O)CCN P36830 [0,2,0,0,0,0|1,0,1]=4 314 B7R0.7 CCOC(=O)CCI P36879 [0,2,0,0,0,0|1,0,1]=4 315 B7R0.7 CCOC(=O)NCO Q69358 [0,2,0,0,0,0|1,0,1]=4 316 B7R0.11 CNCC(C)(C)CO P40852 [0,2,0,0,0,0|1,0,0]=3 317 B7R0.11 COCC(C)(C)CN P36170 [0,2,0,0,0,0|2,0,0]=4 318 B7R0.11 COCC(C)(C)CO O31179 [0,2,0,0,0,0|1,0,0]=3 319 B7R0.4 CC(=O)NCCCN P38199 [0,2,0,0,0,0|1,0,1]=4 320 B7R0.4 CC(C)CNCC#N M22778 [0,2,0,0,0,0|1,0,1]=4 321 B7R0.4 COCCCC(=O)O P39031 [0,2,0,0,0,0|0,0,1]=3 322 B7R0.4 NCCNCC(=O)O O28634 [0,2,0,0,0,0|1,0,1]=4 323 B7R0.4 NCCOCC(=O)O P35961 [0,2,0,0,0,0|1,0,1]=4 324 B7R0.6 CC(=O)OCC(C)O P36972 [0,2,0,0,0,0|1,0,1]=4 325 B7R0.6 CC(C)OCC(=O)O P38749 [0,2,0,0,0,0|1,0,1]=4 326 B7R0.6 O=C(O)CCC(F)F S72753 [0,2,0,0,0,0|1,0,1]=4 327 B7R0.8 CC(C)(N)CCC#N O30915 [0,2,0,0,0,0|1,0,1]=4 328 B7R0.8 CCCCS(=O)(=O)O O30093 [0,2,0,0,0,0|1,0,0]=3 329 B7R0.8 CCNCC(F)(F)F P42734 [0,2,0,0,0,0|2,0,0]=4 330 B7R0.8 CNCCC(C)(C)O M22918 [0,2,0,0,0,0|1,0,0]=3 331 B7R0.8 NCCCC(F)(F)F P35864 [0,2,0,0,0,0|2,0,0]=4 332 B7R0.8 OCCCC(F)(F)F P37989 [0,2,0,0,0,0|1,0,0]=3 333 B7R0.1 BrCCSSCCBr Q69404 [0,2,0,0,0,0|2,0,0]=4 334 B7R0.1 C#CCCCCCI Q66056 [0,2,0,0,0,0|1,0,0]=3 335 B7R0.1 C#CCNCCCN P36031 [0,2,0,0,0,0|1,0,1]=4 336 B7R0.1 C#CCOCCOC P38854 [0,2,0,0,0,0|0,0,2]=4 337 B7R0.1 CCCCNCC#N P38905 [0,2,0,0,0,0|1,0,0]=3 338 B7R0.1 CCCCOCCN P36925 [0,2,0,0,0,0|1,0,0]=3 339 B7R0.1 COCCOCCN P38878 [0,2,0,0,0,0|1,0,0]=3 340 B7R0.1 NCCCOCCO P34738 [0,2,0,0,0,0|0,0,0]=2 341 B7R0.1 O=CCCCCCCl O30105 [0,2,0,0,0,0|0,0,1]=3 342 B7R0.1 [N-]=[N+]=NCCCCN P41887 [0,2,0,0,0,0|2,0,0]=4 343 B7R0.1 [N-]=[N+]=NCCCCO P37488 [0,2,0,0,0,0|1,0,0]=3 344 B5R1.1 C1CSCO1 P51538 [1,0,0,1,0,0|1,0,0]=3 345 B5R1.2 BrC1CNC1 D-2507 [1,0,0,1,0,0|2,0,0]=4 346 B5R1.2 BrC1CNC1 P39525 [1,0,0,1,0,0|2,0,0]=4 347 B5R1.2 BrC1COC1 C-2448 [1,0,0,1,0,0|2,0,0]=4 348 B5R1.2 C=C1CCC1 P49771 [1,0,0,1,0,0|0,0,2]=4 349 B5R1.2 CC1CCN1 M22690 [1,0,0,1,0,0|1,0,0]=3 350 B5R1.2 CC1CCN1 P44577 [1,0,0,1,0,0|1,0,0]=3 351 B5R1.2 CC1CCO1 Q53239 [1,0,0,1,0,0|0,0,0]=2 352 B5R1.2 CC1CNC1 C-2879 [1,0,0,1,0,0|1,0,0]=3 353 B5R1.2 C[C@@H]1CCN1 P45172 [1,0,0,1,0,0|1,0,0]=3 354 B5R1.2 C[C@@H]1CCO1 Q53238 [1,0,0,1,0,0|0,0,0]=2 355 B5R1.2 C[C@H]1CCN1 P44797 [1,0,0,1,0,0|1,0,0]=3 356 B5R1.2 C[C@H]1CCO1 Q53237 [1,0,0,1,0,0|0,0,0]=2 357 B5R1.2 ClC1CNC1 G-7722 [1,0,0,1,0,0|2,0,0]=4 358 B5R1.2 ClC1COC1 L21610 [1,0,0,1,0,0|2,0,0]=4 359 B5R1.2 FC1CNC1 A-433 [1,0,0,1,0,0|2,0,0]=4 360 B5R1.2 FC1CNC1 P45315 [1,0,0,1,0,0|2,0,0]=4 361 B5R1.2 IC1CCC1 L21363 [1,0,0,1,0,0|1,0,0]=3 362 B5R1.2 IC1CNC1 F-4497 [1,0,0,1,0,0|2,0,0]=4 363 B5R1.2 IC1COC1 C-2449 [1,0,0,1,0,0|2,0,0]=4 364 B5R1.2 NC1CCC1 P45382 [1,0,0,1,0,0|1,0,0]=3 365 B5R1.2 NC1CNC1 L13523 [1,0,0,1,0,0|2,0,0]=4 366 B5R1.2 NC1COC1 C-2472 [1,0,0,1,0,0|2,0,0]=4 367 B5R1.2 NC1COC1 O31926 [1,0,0,1,0,0|2,0,0]=4 368 B5R1.2 NC1CSC1 G-6637 [1,0,0,1,0,0|2,0,0]=4 369 B5R1.2 NC1CSC1 Q58806 [1,0,0,1,0,0|2,0,0]=4 370 B5R1.2 NC1CSC1 S72763 [1,0,0,1,0,0|2,0,0]=4 371 B5R1.2 OC1CNC1 A-407 [1,0,0,1,0,0|1,0,0]=3 372 B5R1.2 OC1CNC1 O28030 [1,0,0,1,0,0|1,0,0]=3 373 B5R1.2 OC1COC1 B-1102 [1,0,0,1,0,0|1,0,0]=3 374 B5R1.2 OC1CSC1 L21497 [1,0,0,1,0,0|1,0,0]=3 375 B5R1.2 SC1CNC1 G-7240 [1,0,0,1,0,0|1,1,0]=4 376 B5R1.2 SC1COC1 G-6845 [1,0,0,1,0,0|1,1,0]=4 377 B5R1.3 CNC1CC1 G-6453 [1,0,0,1,0,0|1,0,0]=3 378 B5R1.3 ClCC1CS1 H-8564 [1,0,0,1,0,0|1,1,0]=4 379 B5R1.3 ICC1CC1 P38738 [1,0,0,1,0,0|1,0,0]=3 380 B5R1.3 NNC1CC1 H-8725 [1,0,0,1,0,0|2,0,0]=4 381 B5R1.3 NNC1CC1 O31496 [1,0,0,1,0,0|2,0,0]=4 382 B5R1.3 SCC1CC1 F-4776 [1,0,0,1,0,0|0,1,0]=3 383 B5R1.4 NC1CC1F O33119 [1,0,0,1,0,0|2,0,0]=4 384 B5R1.4 N[C@@H]1C[C@H]1N Q54346 [1,0,0,1,0,0|2,0,0]=4 385 B5R1.4 N[C@H]1C[C@@H]1F Q52395 [1,0,0,1,0,0|2,0,0]=4 386 B7R1.1 BrCC1=CCCC1 G-5335 [0,1,0,1,0,0|1,0,1]=4 387 B7R1.1 BrCC1CCOC1 C-3388 [0,1,0,1,0,0|1,0,0]=3 388 B7R1.1 C#CC1CCCN1 L14925 [0,1,0,1,0,0|1,0,1]=4 389 B7R1.1 C#CC1CCCN1 Q55558 [0,1,0,1,0,0|1,0,1]=4 390 B7R1.1 C#CC1CCNC1 Q55467 [0,1,0,1,0,0|1,0,1]=4 391 B7R1.1 C#CC1CCNC1 Q55468 [0,1,0,1,0,0|1,0,1]=4 392 B7R1.1 C#CC1CCOC1 G-7177 [0,1,0,1,0,0|0,0,2]=4 393 B7R1.1 C#C[C@@H]1CCCN1 Q55560 [0,1,0,1,0,0|1,0,1]=4 394 B7R1.1 C#C[C@H]1CCCN1 Q55559 [0,1,0,1,0,0|1,0,1]=4 395 B7R1.1 CC[C@@H]1CCNC1 L14526 [0,1,0,1,0,0|1,0,0]=3 396 B7R1.1 CC[C@H]1CCNC1 L14527 [0,1,0,1,0,0|1,0,0]=3 397 B7R1.1 CNC1CCCC1 P36274 [0,1,0,1,0,0|1,0,0]=3 398 B7R1.1 CNC1CCNC1 P41664 [0,1,0,1,0,0|2,0,0]=4 399 B7R1.1 CNC1CCOC1 I-9659 [0,1,0,1,0,0|1,0,0]=3 400 B7R1.1 CN[C@@H]1CCNC1 P41422 [0,1,0,1,0,0|2,0,0]=4 401 B7R1.1 CN[C@@H]1CCOC1 L13930 [0,1,0,1,0,0|1,0,0]=3 402 B7R1.1 CN[C@H]1CCNC1 P41423 [0,1,0,1,0,0|2,0,0]=4 403 B7R1.1 CN[C@H]1CCOC1 L13929 [0,1,0,1,0,0|1,0,0]=3 404 B7R1.1 COC1CCNC1 C-2248 [0,1,0,1,0,0|1,0,0]=3 405 B7R1.1 CO[C@@H]1CCNC1 C-2249 [0,1,0,1,0,0|1,0,0]=3 406 B7R1.1 CO[C@H]1CCNC1 C-2250 [0,1,0,1,0,0|1,0,0]=3 407 B7R1.1 CSC1CCNC1 L20011 [0,1,0,1,0,0|1,1,0]=4 408 B7R1.1 CS[C@@H]1CCNC1 Q52106 [0,1,0,1,0,0|1,1,0]=4 409 B7R1.1 CS[C@H]1CCNC1 Q52105 [0,1,0,1,0,0|1,1,0]=4 410 B7R1.1 FCC1CCCN1 Q52409 [0,1,0,1,0,0|1,0,0]=3 411 B7R1.1 FCC1CCNC1 L20341 [0,1,0,1,0,0|1,0,0]=3 412 B7R1.1 FC[C@@H]1CCCN1 G-5688 [0,1,0,1,0,0|1,0,0]=3 413 B7R1.1 FC[C@@H]1CCCN1 Q61799 [0,1,0,1,0,0|1,0,0]=3 414 B7R1.1 FC[C@@H]1CCNC1 P48130 [0,1,0,1,0,0|1,0,0]=3 415 B7R1.1 FC[C@@H]1CCNC1 Q61807 [0,1,0,1,0,0|1,0,0]=3 416 B7R1.1 FC[C@H]1CCCN1 I-9901 [0,1,0,1,0,0|1,0,0]=3 417 B7R1.1 FC[C@H]1CCCN1 Q51944 [0,1,0,1,0,0|1,0,0]=3 418 B7R1.1 FC[C@H]1CCNC1 P50376 [0,1,0,1,0,0|1,0,0]=3 419 B7R1.1 FC[C@H]1CCNC1 Q61806 [0,1,0,1,0,0|1,0,0]=3 420 B7R1.1 ICC1CCCC1 P39098 [0,1,0,1,0,0|1,0,0]=3 421 B7R1.1 ICC1CCOC1 I-9304 [0,1,0,1,0,0|1,0,0]=3 422 B7R1.1 N#CC1CCCN1 G-6826 [0,1,0,1,0,0|1,0,1]=4 423 B7R1.1 N#CC1CCCN1 Q51936 [0,1,0,1,0,0|1,0,1]=4 424 B7R1.1 N#CC1CCNC1 L13633 [0,1,0,1,0,0|1,0,1]=4 425 B7R1.1 N#CC1CCNC1 M23796 [0,1,0,1,0,0|1,0,1]=4 426 B7R1.1 N#CC1CCOC1 I-9148 [0,1,0,1,0,0|1,0,1]=4 427 B7R1.1 N#C[C@@H]1CCCN1 A-367 [0,1,0,1,0,0|1,0,1]=4 428 B7R1.1 N#C[C@@H]1CCCN1 G-5682 [0,1,0,1,0,0|1,0,1]=4 429 B7R1.1 N#C[C@@H]1CCNC1 C-2960 [0,1,0,1,0,0|1,0,1]=4 430 B7R1.1 N#C[C@@H]1CCOC1 G-6696 [0,1,0,1,0,0|1,0,1]=4 431 B7R1.1 N#C[C@H]1CCCN1 G-5683 [0,1,0,1,0,0|1,0,1]=4 432 B7R1.1 N#C[C@H]1CCCN1 O28475 [0,1,0,1,0,0|1,0,1]=4 433 B7R1.1 N#C[C@H]1CCNC1 C-2961 [0,1,0,1,0,0|1,0,1]=4 434 B7R1.1 N#C[C@H]1CCOC1 I-9839 [0,1,0,1,0,0|1,0,1]=4 435 B7R1.1 NCC1CCCC1 F-4714 [0,1,0,1,0,0|1,0,0]=3 436 B7R1.1 NCC1CCCC1 L14012 [0,1,0,1,0,0|1,0,0]=3 437 B7R1.1 NCC1CCCN1 P37060 [0,1,0,1,0,0|1,0,0]=3 438 B7R1.1 NCC1CCOC1 C-3659 [0,1,0,1,0,0|1,0,0]=3 439 B7R1.1 NCC1CCOC1 G-6767 [0,1,0,1,0,0|1,0,0]=3 440 B7R1.1 NC[C@@H]1CCCN1 G-5891 [0,1,0,1,0,0|1,0,0]=3 441 B7R1.1 NC[C@@H]1CCOC1 C-2790 [0,1,0,1,0,0|1,0,0]=3 442 B7R1.1 NC[C@@H]1CCOC1 G-5015 [0,1,0,1,0,0|1,0,0]=3 443 B7R1.1 NC[C@H]1CCCN1 P42386 [0,1,0,1,0,0|1,0,0]=3 444 B7R1.1 NC[C@H]1CCNC1 Q55433 [0,1,0,1,0,0|1,0,0]=3 445 B7R1.1 NC[C@H]1CCOC1 C-2789 [0,1,0,1,0,0|1,0,0]=3 446 B7R1.1 NC[C@H]1CCOC1 G-5014 [0,1,0,1,0,0|1,0,0]=3 447 B7R1.1 NNC1CCCC1 O31761 [0,1,0,1,0,0|1,0,0]=3 448 B7R1.1 NNC1CCNC1 O29712 [0,1,0,1,0,0|2,0,0]=4 449 B7R1.1 OCC1CC=CC1 G-6600 [0,1,0,1,0,0|0,0,1]=3 450 B7R1.1 OCC1CCNC1 C-2924 [0,1,0,1,0,0|0,0,0]=2 451 B7R1.1 OCC1CCNC1 L13610 [0,1,0,1,0,0|0,0,0]=2 452 B7R1.1 OCC1CCOC1 C-3387 [0,1,0,1,0,0|0,0,0]=2 453 B7R1.1 OCC1OCCO1 O33317 [0,1,0,1,0,0|1,0,0]=3 454 B7R1.1 OC[C@@H]1CCCO1 O32723 [0,1,0,1,0,0|0,0,0]=2 455 B7R1.1 OC[C@@H]1CCNC1 G-6083 [0,1,0,1,0,0|0,0,0]=2 456 B7R1.1 OC[C@@H]1CCNC1 L13662 [0,1,0,1,0,0|0,0,0]=2 457 B7R1.1 OC[C@@H]1CCOC1 C-2787 [0,1,0,1,0,0|0,0,0]=2 458 B7R1.1 OC[C@H]1CCNC1 G-6082 [0,1,0,1,0,0|0,0,0]=2 459 B7R1.1 OC[C@H]1CCNC1 L14041 [0,1,0,1,0,0|0,0,0]=2 460 B7R1.1 OC[C@H]1CCOC1 C-2788 [0,1,0,1,0,0|0,0,0]=2 461 B7R1.2 CC1=NC(C)CO1 M15289 [0,1,0,1,0,0|1,0,1]=4 462 B7R1.2 CC1CC(O)CN1 Q59204 [0,1,0,1,0,0|1,0,0]=3 463 B7R1.2 CC1CC(O)CN1 Q59205 [0,1,0,1,0,0|1,0,0]=3 464 B7R1.2 CC1CCC(N)C1 Q56970 [0,1,0,1,0,0|1,0,0]=3 465 B7R1.2 CC1CNC(=O)O1 P51279 [0,1,0,1,0,0|1,0,1]=4 466 B7R1.2 CN1CCC(Br)C1 Q53645 [0,1,0,1,0,0|2,0,0]=4 467 B7R1.2 CN1CCC(N)C1 C-2205 [0,1,0,1,0,0|2,0,0]=4 468 B7R1.2 CN1CCC(N)C1 O28463 [0,1,0,1,0,0|2,0,0]=4 469 B7R1.2 CN1CCC(O)C1 C-3294 [0,1,0,1,0,0|1,0,0]=3 470 B7R1.2 CN1CC[C@@H](N)C1 C-2206 [0,1,0,1,0,0|2,0,0]=4 471 B7R1.2 CN1CC[C@@H](N)C1 Q66155 [0,1,0,1,0,0|2,0,0]=4 472 B7R1.2 CN1CC[C@@H](O)C1 C-3296 [0,1,0,1,0,0|1,0,0]=3 473 B7R1.2 CN1CC[C@H](N)C1 C-2207 [0,1,0,1,0,0|2,0,0]=4 474 B7R1.2 CN1CC[C@H](N)C1 P35579 [0,1,0,1,0,0|2,0,0]=4 475 B7R1.2 CN1CC[C@H](N)C1 Q51811 [0,1,0,1,0,0|2,0,0]=4 476 B7R1.2 CN1CC[C@H](O)C1 C-3295 [0,1,0,1,0,0|1,0,0]=3 477 B7R1.2 C[C@@H]1CC[C@@H](C)N1 O32970 [0,1,0,1,0,0|1,0,0]=3 478 B7R1.2 C[C@@H]1CC[C@@H](C)N1 Q61707 [0,1,0,1,0,0|1,0,0]=3 479 B7R1.2 C[C@@H]1CC[C@@H](C)N1 Q61742 [0,1,0,1,0,0|1,0,0]=3 480 B7R1.2 C[C@@H]1CNC(=O)O1 P42625 [0,1,0,1,0,0|1,0,1]=4 481 B7R1.2 C[C@@H]1CN[C@@H](C)C1 Q61627 [0,1,0,1,0,0|1,0,0]=3 482 B7R1.2 C[C@@H]1C[C@@H](O)CN1 Q56025 [0,1,0,1,0,0|1,0,0]=3 483 B7R1.2 C[C@@H]1C[C@H](F)CN1 Q54433 [0,1,0,1,0,0|1,0,0]=3 484 B7R1.2 C[C@@H]1C[C@H](O)CN1 L14502 [0,1,0,1,0,0|1,0,0]=3 485 B7R1.2 C[C@H]1CC[C@@H](C)N1 O32965 [0,1,0,1,0,0|1,0,0]=3 486 B7R1.2 C[C@H]1CC[C@@H](C)N1 Q61708 [0,1,0,1,0,0|1,0,0]=3 487 B7R1.2 C[C@H]1C[C@@H](O)CN1 Q56026 [0,1,0,1,0,0|1,0,0]=3 488 B7R1.2 C[C@H]1C[C@H](O)CN1 L13861 [0,1,0,1,0,0|1,0,0]=3 489 B7R1.2 NC1CCC(F)C1 Q54470 [0,1,0,1,0,0|1,0,0]=3 490 B7R1.2 NC1CCC(F)C1 Q54471 [0,1,0,1,0,0|1,0,0]=3 491 B7R1.2 NC1CCC(O)C1 G-5810 [0,1,0,1,0,0|0,0,0]=2 492 B7R1.2 N[C@@H]1CC[C@@H](F)C1 Q56999 [0,1,0,1,0,0|1,0,0]=3 493 B7R1.2 N[C@@H]1CC[C@@H](F)C1 Q57000 [0,1,0,1,0,0|1,0,0]=3 494 B7R1.2 N[C@@H]1CC[C@@H](F)C1 Q57004 [0,1,0,1,0,0|1,0,0]=3 495 B7R1.2 N[C@@H]1CC[C@@H](O)C1 G-6580 [0,1,0,1,0,0|0,0,0]=2 496 B7R1.2 N[C@@H]1CC[C@@H](O)C1 L13346 [0,1,0,1,0,0|0,0,0]=2 497 B7R1.2 N[C@@H]1CC[C@@H](O)C1 Q57092 [0,1,0,1,0,0|0,0,0]=2 498 B7R1.2 N[C@@H]1CC[C@H](F)C1 Q57002 [0,1,0,1,0,0|1,0,0]=3 499 B7R1.2 N[C@@H]1CC[C@H](O)C1 L13208 [0,1,0,1,0,0|0,0,0]=2 500 B7R1.2 N[C@@H]1CC[C@H](O)C1 Q57094 [0,1,0,1,0,0|0,0,0]=2 501 B7R1.2 N[C@H]1CC[C@@H](F)C1 O33077 [0,1,0,1,0,0|1,0,0]=3 502 B7R1.2 N[C@H]1CC[C@@H](F)C1 Q56998 [0,1,0,1,0,0|1,0,0]=3 503 B7R1.2 N[C@H]1CC[C@@H](F)C1 Q57001 [0,1,0,1,0,0|1,0,0]=3 504 B7R1.2 N[C@H]1CC[C@@H](O)C1 G-6579 [0,1,0,1,0,0|0,0,0]=2 505 B7R1.2 N[C@H]1CC[C@@H](O)C1 K10902 [0,1,0,1,0,0|0,0,0]=2 506 B7R1.2 N[C@H]1CC[C@@H](O)C1 L21276 [0,1,0,1,0,0|0,0,0]=2 507 B7R1.2 N[C@H]1CC[C@H](F)C1 Q57003 [0,1,0,1,0,0|1,0,0]=3 508 B7R1.2 N[C@H]1CC[C@H](O)C1 I-9981 [0,1,0,1,0,0|0,0,0]=2 509 B7R1.2 N[C@H]1CC[C@H](O)C1 Q57093 [0,1,0,1,0,0|0,0,0]=2 510 B7R1.2 O=C1CC(O)CN1 P39299 [0,1,0,1,0,0|1,0,1]=4 511 B7R1.2 O=C1CCC(Br)C1 Q56972 [0,1,0,1,0,0|0,0,2]=4 512 B7R1.2 O=C1CCC(F)C1 Q55724 [0,1,0,1,0,0|0,0,2]=4 513 B7R1.2 O=C1CCC(O)C1 H-8145 [0,1,0,1,0,0|0,0,1]=3 514 B7R1.2 O=C1C[C@@H](O)CN1 M22799 [0,1,0,1,0,0|1,0,1]=4 515 B7R1.2 OC1CCC(F)C1 Q55723 [0,1,0,1,0,0|0,0,0]=2 516 B7R1.2 OC1CCC(O)C1 L14091 [0,1,0,1,0,0|0,0,0]=2 517 B7R1.2 O[C@@H]1C=C[C@@H](F)C1 Q63540 [0,1,0,1,0,0|0,0,2]=4 518 B7R1.2 O[C@@H]1C=C[C@H](F)C1 Q63539 [0,1,0,1,0,0|0,0,2]=4 519 B7R1.2 O[C@@H]1C=C[C@H](O)C1 Q54369 [0,1,0,1,0,0|0,0,2]=4 520 B7R1.2 O[C@@H]1CC[C@@H](O)C1 O33251 [0,1,0,1,0,0|0,0,0]=2 521 B7R1.2 O[C@H]1C=C[C@@H](F)C1 Q63538 [0,1,0,1,0,0|0,0,2]=4 522 B7R1.2 O[C@H]1C=C[C@H](F)C1 Q63541 [0,1,0,1,0,0|0,0,2]=4 523 B7R1.2 O[C@H]1CC[C@@H](O)C1 L14976 [0,1,0,1,0,0|0,0,0]=2 524 B7R1.2 O[C@H]1CC[C@H](O)C1 Q57036 [0,1,0,1,0,0|0,0,0]=2 525 B7R1.3 BrC1=CCCCC1 N24288 [0,1,0,1,0,0|1,0,1]=4 526 B7R1.3 BrC1C=CCCC1 P44668 [0,1,0,1,0,0|1,0,1]=4 527 B7R1.3 BrC1CCCNC1 H-8368 [0,1,0,1,0,0|1,0,0]=3 528 B7R1.3 BrC1CCCOC1 O33555 [0,1,0,1,0,0|0,0,0]=2 529 B7R1.3 BrC1CCOCC1 C-3420 [0,1,0,1,0,0|0,0,0]=2 530 B7R1.3 C=C1CCCNC1 Q59836 [0,1,0,1,0,0|1,0,1]=4 531 B7R1.3 C=C1CCCOC1 Q54979 [0,1,0,1,0,0|0,0,1]=3 532 B7R1.3 C=C1CCNCC1 H-8338 [0,1,0,1,0,0|1,0,1]=4 533 B7R1.3 C=C1CCNCC1 Q55164 [0,1,0,1,0,0|1,0,1]=4 534 B7R1.3 C=C1CCOCC1 L13714 [0,1,0,1,0,0|0,0,1]=3 535 B7R1.3 CC1=CCCNC1 I-9121 [0,1,0,1,0,0|1,0,1]=4 536 B7R1.3 CC1=CCNCC1 I-9119 [0,1,0,1,0,0|1,0,1]=4 537 B7R1.3 CC1CNCCO1 B-1061 [0,1,0,1,0,0|0,0,0]=2 538 B7R1.3 CC1CNCCO1 B-1061-1 [0,1,0,1,0,0|0,0,0]=2 539 B7R1.3 CC1COCCN1 B-1060 [0,1,0,1,0,0|1,0,0]=3 540 B7R1.3 CC1COCCN1 O28936 [0,1,0,1,0,0|1,0,0]=3 541 B7R1.3 C[C@@H]1CCCCN1 P40572 [0,1,0,1,0,0|1,0,0]=3 542 B7R1.3 C[C@@H]1CCCNC1 Q55825 [0,1,0,1,0,0|1,0,0]=3 543 B7R1.3 C[C@@H]1CNCCO1 B-1063 [0,1,0,1,0,0|0,0,0]=2 544 B7R1.3 C[C@@H]1CNCCO1 B-1063-1 [0,1,0,1,0,0|0,0,0]=2 545 B7R1.3 C[C@@H]1COCCN1 B-1058 [0,1,0,1,0,0|1,0,0]=3 546 B7R1.3 C[C@@H]1COCCN1 P34848 [0,1,0,1,0,0|1,0,0]=3 547 B7R1.3 C[C@H]1CCCCN1 P38855 [0,1,0,1,0,0|1,0,0]=3 548 B7R1.3 C[C@H]1CCCCN1 Q54716 [0,1,0,1,0,0|1,0,0]=3 549 B7R1.3 C[C@H]1CCCNC1 Q55824 [0,1,0,1,0,0|1,0,0]=3 550 B7R1.3 C[C@H]1CNCCO1 B-1062 [0,1,0,1,0,0|0,0,0]=2 551 B7R1.3 C[C@H]1CNCCO1 B-1062-1 [0,1,0,1,0,0|0,0,0]=2 552 B7R1.3 C[C@H]1COCCN1 B-1059 [0,1,0,1,0,0|1,0,0]=3 553 B7R1.3 C[C@H]1COCCN1 P42980 [0,1,0,1,0,0|1,0,0]=3 554 B7R1.3 ClC1CCCOC1 Q57646 [0,1,0,1,0,0|0,0,0]=2 555 B7R1.3 FC1CCCNC1 C-2254 [0,1,0,1,0,0|1,0,0]=3 556 B7R1.3 F[C@@H]1CCCNC1 G-5231 [0,1,0,1,0,0|1,0,0]=3 557 B7R1.3 F[C@H]1CCCNC1 C-2765 [0,1,0,1,0,0|1,0,0]=3 558 B7R1.3 IC1CCOCC1 C-3266 [0,1,0,1,0,0|0,0,0]=2 559 B7R1.3 N=C1NCCCO1 L19177 [0,1,0,1,0,0|1,0,1]=4 560 B7R1.3 NC1CCCOC1 I-9177 [0,1,0,1,0,0|0,0,0]=2 561 B7R1.3 NC1CCCOC1 Q56350 [0,1,0,1,0,0|0,0,0]=2 562 B7R1.3 NC1CCOCC1 B-1768 [0,1,0,1,0,0|0,0,0]=2 563 B7R1.3 NC1CCOCC1 G-5110 [0,1,0,1,0,0|0,0,0]=2 564 B7R1.3 NC1CCSCC1 O33298 [0,1,0,1,0,0|0,1,0]=3 565 B7R1.3 N[C@@H]1CCCNC1 I-9160 [0,1,0,1,0,0|1,0,0]=3 566 B7R1.3 N[C@@H]1CCCOC1 I-9746 [0,1,0,1,0,0|0,0,0]=2 567 B7R1.3 O=C1CCCNC1 A-184 [0,1,0,1,0,0|0,0,2]=4 568 B7R1.3 O=C1CCCOC1 G-6070 [0,1,0,1,0,0|0,0,1]=3 569 B7R1.3 O=C1CCCSC1 G-5937 [0,1,0,1,0,0|0,0,2]=4 570 B7R1.3 O=C1CCOCC1 B-1770 [0,1,0,1,0,0|0,0,1]=3 571 B7R1.3 O=C1CCSCC1 C-2949 [0,1,0,1,0,0|0,0,2]=4 572 B7R1.3 O=C1CNCCO1 O28295 [0,1,0,1,0,0|1,0,1]=4 573 B7R1.3 O=C1COCCN1 B-1038 [0,1,0,1,0,0|1,0,1]=4 574 B7R1.3 O=C1OCCCO1 P43743 [0,1,0,1,0,0|1,0,1]=4 575 B7R1.3 OC1C=CCOC1 Q63933 [0,1,0,1,0,0|0,0,2]=4 576 B7R1.3 OC1CCCOC1 G-6220 [0,1,0,1,0,0|0,0,0]=2 577 B7R1.3 OC1CCNCC1 Q52555 [0,1,0,1,0,0|0,0,0]=2 578 B7R1.3 OC1CCOCC1 B-1769 [0,1,0,1,0,0|0,0,0]=2 579 B7R1.3 OC1CCSCC1 Q69934 [0,1,0,1,0,0|0,0,0]=2 580 B7R1.3 O[C@@H]1C=CCOC1 Q63935 [0,1,0,1,0,0|0,0,2]=4 581 B7R1.3 O[C@@H]1CCCNC1 K12060 [0,1,0,1,0,0|0,0,0]=2 582 B7R1.3 O[C@@H]1CCCOC1 P44487 [0,1,0,1,0,0|0,0,0]=2 583 B7R1.3 O[C@H]1C=CCOC1 Q63934 [0,1,0,1,0,0|0,0,2]=4 584 B7R1.3 O[C@H]1CCCNC1 K12075 [0,1,0,1,0,0|0,0,0]=2 585 B7R1.3 O[C@H]1CCCNC1 L13549 [0,1,0,1,0,0|0,0,0]=2 586 B7R1.3 O[C@H]1CCCOC1 P51230 [0,1,0,1,0,0|0,0,0]=2 587 B7R1.3 SC1CCCNC1 L21541 [0,1,0,1,0,0|0,1,0]=3 588 B7R1.3 SC1CCCOC1 Q57701 [0,1,0,1,0,0|0,0,0]=2 589 B7R1.3 SC1CCNCC1 I-9049 [0,1,0,1,0,0|0,1,0]=3 590 B7R1.4 CC1CCNC1=O O30375 [0,1,0,1,0,0|0,0,2]=4 591 B7R1.4 CC1CCNC1C Q61659 [0,1,0,1,0,0|1,0,0]=3 592 B7R1.4 CC1CNCC1C O33388 [0,1,0,1,0,0|1,0,0]=3 593 B7R1.4 CC1CNCC1F Q54416 [0,1,0,1,0,0|1,0,0]=3 594 B7R1.4 CC1CNCC1O Q59312 [0,1,0,1,0,0|0,0,0]=2 595 B7R1.4 CN1CCCC1=N Q59266 [0,1,0,1,0,0|1,0,1]=4 596 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53279 [0,1,0,1,0,0|1,0,0]=3 597 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53280 [0,1,0,1,0,0|1,0,0]=3 598 B7R1.4 C[C@@H]1CCNC1=O Q61716 [0,1,0,1,0,0|0,0,2]=4 599 B7R1.4 C[C@@H]1CNC[C@@H]1F Q56053 [0,1,0,1,0,0|1,0,0]=3 600 B7R1.4 C[C@@H]1CNC[C@@H]1F Q56054 [0,1,0,1,0,0|1,0,0]=3 601 B7R1.4 C[C@@H]1CNC[C@@H]1N Q61701 [0,1,0,1,0,0|1,0,0]=3 602 B7R1.4 C[C@@H]1CNC[C@@H]1N Q61702 [0,1,0,1,0,0|1,0,0]=3 603 B7R1.4 C[C@@H]1CNC[C@@H]1O L22286 [0,1,0,1,0,0|0,0,0]=2 604 B7R1.4 C[C@@H]1CNC[C@@H]1O Q55495 [0,1,0,1,0,0|0,0,0]=2 605 B7R1.4 C[C@@H]1CNC[C@H]1O L22285 [0,1,0,1,0,0|0,0,0]=2 606 B7R1.4 C[C@@H]1CNC[C@H]1O Q55494 [0,1,0,1,0,0|0,0,0]=2 607 B7R1.4 C[C@@H]1COC[C@H]1N F-4262 [0,1,0,1,0,0|1,0,0]=3 608 B7R1.4 C[C@@H]1NCC[C@@H]1O Q64145 [0,1,0,1,0,0|0,0,0]=2 609 B7R1.4 C[C@@H]1NCC[C@H]1O Q64143 [0,1,0,1,0,0|0,0,0]=2 610 B7R1.4 C[C@H]1CCC[C@@H]1N Q53277 [0,1,0,1,0,0|1,0,0]=3 611 B7R1.4 C[C@H]1CCC[C@@H]1N Q53278 [0,1,0,1,0,0|1,0,0]=3 612 B7R1.4 C[C@H]1CCNC1=O Q61658 [0,1,0,1,0,0|0,0,2]=4 613 B7R1.4 C[C@H]1COC[C@@H]1N L13875 [0,1,0,1,0,0|1,0,0]=3 614 B7R1.4 C[C@H]1NCC[C@@H]1O Q64142 [0,1,0,1,0,0|0,0,0]=2 615 B7R1.4 C[C@H]1NCC[C@H]1O Q64144 [0,1,0,1,0,0|0,0,0]=2 616 B7R1.4 FC1CNCC1F Q57411 [0,1,0,1,0,0|2,0,0]=4 617 B7R1.4 F[C@@H]1CNC[C@H]1F Q63594 [0,1,0,1,0,0|2,0,0]=4 618 B7R1.4 F[C@H]1CNC[C@@H]1F K12040 [0,1,0,1,0,0|2,0,0]=4 619 B7R1.4 F[C@H]1CNC[C@@H]1F Q56486 [0,1,0,1,0,0|2,0,0]=4 620 B7R1.4 F[C@H]1CNC[C@H]1F G-6496 [0,1,0,1,0,0|2,0,0]=4 621 B7R1.4 NC1CCCC1Cl Q54474 [0,1,0,1,0,0|1,0,0]=3 622 B7R1.4 NC1CCCC1F Q54472 [0,1,0,1,0,0|1,0,0]=3 623 B7R1.4 NC1CCCC1F Q54473 [0,1,0,1,0,0|1,0,0]=3 624 B7R1.4 NC1CCCC1O F-4442 [0,1,0,1,0,0|0,0,0]=2 625 B7R1.4 N[C@@H]1CCC[C@@H]1F Q61724 [0,1,0,1,0,0|1,0,0]=3 626 B7R1.4 N[C@@H]1CCC[C@@H]1F Q61725 [0,1,0,1,0,0|1,0,0]=3 627 B7R1.4 N[C@@H]1CCC[C@@H]1O F-4443 [0,1,0,1,0,0|0,0,0]=2 628 B7R1.4 N[C@@H]1CCC[C@@H]1O F-4445 [0,1,0,1,0,0|0,0,0]=2 629 B7R1.4 N[C@@H]1CCC[C@H]1F O32983 [0,1,0,1,0,0|1,0,0]=3 630 B7R1.4 N[C@@H]1CCC[C@H]1F Q61721 [0,1,0,1,0,0|1,0,0]=3 631 B7R1.4 N[C@@H]1CCC[C@H]1F Q61728 [0,1,0,1,0,0|1,0,0]=3 632 B7R1.4 N[C@@H]1CCC[C@H]1N L21303 [0,1,0,1,0,0|1,0,0]=3 633 B7R1.4 N[C@@H]1CCC[C@H]1N Q61965 [0,1,0,1,0,0|1,0,0]=3 634 B7R1.4 N[C@@H]1CCC[C@H]1O F-4450 [0,1,0,1,0,0|0,0,0]=2 635 B7R1.4 N[C@@H]1CCC[C@H]1O I-9382 [0,1,0,1,0,0|0,0,0]=2 636 B7R1.4 N[C@@H]1COC[C@@H]1N G-7625 [0,1,0,1,0,0|2,0,0]=4 637 B7R1.4 N[C@@H]1COC[C@@H]1N L14037 [0,1,0,1,0,0|2,0,0]=4 638 B7R1.4 N[C@@H]1COC[C@H]1N G-7624 [0,1,0,1,0,0|2,0,0]=4 639 B7R1.4 N[C@@H]1COC[C@H]1O H-8080 [0,1,0,1,0,0|1,0,0]=3 640 B7R1.4 N[C@H]1CCC[C@@H]1F Q61723 [0,1,0,1,0,0|1,0,0]=3 641 B7R1.4 N[C@H]1CCC[C@@H]1O F-4444 [0,1,0,1,0,0|0,0,0]=2 642 B7R1.4 N[C@H]1CCC[C@@H]1O F-4447 [0,1,0,1,0,0|0,0,0]=2 643 B7R1.4 N[C@H]1CCC[C@@H]1O F-4448 [0,1,0,1,0,0|0,0,0]=2 644 B7R1.4 N[C@H]1CCC[C@H]1F Q61722 [0,1,0,1,0,0|1,0,0]=3 645 B7R1.4 N[C@H]1CCC[C@H]1F Q61726 [0,1,0,1,0,0|1,0,0]=3 646 B7R1.4 N[C@H]1CCC[C@H]1F Q61727 [0,1,0,1,0,0|1,0,0]=3 647 B7R1.4 N[C@H]1CCC[C@H]1N O33475 [0,1,0,1,0,0|1,0,0]=3 648 B7R1.4 N[C@H]1CCC[C@H]1O F-4446 [0,1,0,1,0,0|0,0,0]=2 649 B7R1.4 N[C@H]1CCC[C@H]1O F-4449 [0,1,0,1,0,0|0,0,0]=2 650 B7R1.4 N[C@H]1CCC[C@H]1O Q52258 [0,1,0,1,0,0|0,0,0]=2 651 B7R1.4 N[C@H]1COC[C@@H]1N G-6892 [0,1,0,1,0,0|2,0,0]=4 652 B7R1.4 N[C@H]1COC[C@@H]1N G-7623 [0,1,0,1,0,0|2,0,0]=4 653 B7R1.4 N[C@H]1COC[C@@H]1O F-4615 [0,1,0,1,0,0|1,0,0]=3 654 B7R1.4 N[C@H]1COC[C@@H]1O H-8081 [0,1,0,1,0,0|1,0,0]=3 655 B7R1.4 N[C@H]1COC[C@H]1O L22268 [0,1,0,1,0,0|1,0,0]=3 656 B7R1.4 N[C@H]1COC[C@H]1O P45710 [0,1,0,1,0,0|1,0,0]=3 657 B7R1.4 O=C1CCCC1O Q61720 [0,1,0,1,0,0|0,0,1]=3 658 B7R1.4 O=C1NCCC1O D-2532 [0,1,0,1,0,0|1,0,1]=4 659 B7R1.4 O=C1NCC[C@@H]1O F-4184 [0,1,0,1,0,0|1,0,1]=4 660 B7R1.4 O=C1NCC[C@H]1O O30124 [0,1,0,1,0,0|1,0,1]=4 661 B7R1.4 OC1CCC=C1Br O29401 [0,1,0,1,0,0|0,0,2]=4 662 B7R1.4 OC1CCCC1F L19027 [0,1,0,1,0,0|0,0,0]=2 663 B7R1.4 O[C@@H]1CCC[C@H]1F Q62078 [0,1,0,1,0,0|0,0,0]=2 664 B7R1.4 O[C@@H]1CNC[C@@H]1F P47689 [0,1,0,1,0,0|1,0,0]=3 665 B7R1.4 O[C@@H]1CNC[C@H]1F L22087 [0,1,0,1,0,0|1,0,0]=3 666 B7R1.4 O[C@@H]1CNC[C@H]1O I-9041 [0,1,0,1,0,0|1,0,0]=3 667 B7R1.4 O[C@H]1CCC[C@@H]1O Q61543 [0,1,0,1,0,0|0,0,0]=2 668 B7R1.4 O[C@H]1CNC[C@@H]1F G-6498 [0,1,0,1,0,0|1,0,0]=3 669 B7R1.4 O[C@H]1CNC[C@@H]1F L18425 [0,1,0,1,0,0|1,0,0]=3 670 B7R1.4 O[C@H]1CNC[C@@H]1O G-7319 [0,1,0,1,0,0|1,0,0]=3 671 B7R1.4 O[C@H]1CNC[C@@H]1O I-9326 [0,1,0,1,0,0|1,0,0]=3 672 B7R1.4 O[C@H]1CNC[C@@H]1O O33609 [0,1,0,1,0,0|1,0,0]=3 673 B7R1.4 O[C@H]1CNC[C@H]1F L14907 [0,1,0,1,0,0|1,0,0]=3 674 B7R1.4 O[C@H]1CNC[C@H]1F Q64937 [0,1,0,1,0,0|1,0,0]=3 675 B7R1.4 O[C@H]1CNC[C@H]1O G-6497 [0,1,0,1,0,0|1,0,0]=3 676 B7R1.4 O[C@H]1CNC[C@H]1O H-8791 [0,1,0,1,0,0|1,0,0]=3 677 B7R1.4 O[C@H]1COC[C@H]1O G-7040 [0,1,0,1,0,0|1,0,0]=3 678 B7R1.6 BrCC=C1CCC1 P45894 [0,1,0,1,0,0|1,0,1]=4 679 B7R1.6 BrCCC1CCO1 Q56185 [0,1,0,1,0,0|0,0,0]=2 680 B7R1.6 BrCCC1COC1 Q62635 [0,1,0,1,0,0|1,0,0]=3 681 B7R1.6 BrCCN1CCC1 P49207 [0,1,0,1,0,0|1,0,0]=3 682 B7R1.6 C#CCN1CCC1 P48093 [0,1,0,1,0,0|1,0,1]=4 683 B7R1.6 C=CCC1CNC1 H-8202 [0,1,0,1,0,0|1,0,1]=4 684 B7R1.6 C=CCN1CCC1 P45061 [0,1,0,1,0,0|1,0,1]=4 685 B7R1.6 CCCC1CNC1 P43152 [0,1,0,1,0,0|1,0,0]=3 686 B7R1.6 CCCC1CNC1 P44924 [0,1,0,1,0,0|1,0,0]=3 687 B7R1.6 CCNC1CCC1 P34707 [0,1,0,1,0,0|1,0,0]=3 688 B7R1.6 CCNC1CCC1 P45089 [0,1,0,1,0,0|1,0,0]=3 689 B7R1.6 CCNC1CNC1 M22745 [0,1,0,1,0,0|2,0,0]=4 690 B7R1.6 CCNC1CNC1 P45767 [0,1,0,1,0,0|2,0,0]=4 691 B7R1.6 CCNC1COC1 G-6617 [0,1,0,1,0,0|1,0,0]=3 692 B7R1.6 CCOC1CNC1 O28975 [0,1,0,1,0,0|2,0,0]=4 693 B7R1.6 CCOC1CNC1 P44497 [0,1,0,1,0,0|2,0,0]=4 694 B7R1.6 CCSC1CNC1 P46826 [0,1,0,1,0,0|2,0,0]=4 695 B7R1.6 CCSC1CNC1 P48713 [0,1,0,1,0,0|2,0,0]=4 696 B7R1.6 CNCC1CCC1 P42057 [0,1,0,1,0,0|1,0,0]=3 697 B7R1.6 CNCC1CCC1 P44415 [0,1,0,1,0,0|1,0,0]=3 698 B7R1.6 CNCC1CCO1 Q55851 [0,1,0,1,0,0|0,0,0]=2 699 B7R1.6 CNCC1CNC1 P43156 [0,1,0,1,0,0|2,0,0]=4 700 B7R1.6 CNCC1CNC1 P44879 [0,1,0,1,0,0|2,0,0]=4 701 B7R1.6 CNCC1COC1 G-7362 [0,1,0,1,0,0|1,0,0]=3 702 B7R1.6 COCC1CCN1 I-9954 [0,1,0,1,0,0|1,0,0]=3 703 B7R1.6 COCC1CCN1 Q56488 [0,1,0,1,0,0|1,0,0]=3 704 B7R1.6 COCC1CCN1 Q56489 [0,1,0,1,0,0|1,0,0]=3 705 B7R1.6 COCC1CNC1 C-2240 [0,1,0,1,0,0|1,0,0]=3 706 B7R1.6 COCC1CNC1 L13685 [0,1,0,1,0,0|1,0,0]=3 707 B7R1.6 COC[C@@H]1CCN1 G-6501 [0,1,0,1,0,0|1,0,0]=3 708 B7R1.6 COC[C@@H]1CCN1 L13813 [0,1,0,1,0,0|1,0,0]=3 709 B7R1.6 COC[C@H]1CCN1 G-7976 [0,1,0,1,0,0|1,0,0]=3 710 B7R1.6 ClCOC1CCC1 P49912 [0,1,0,1,0,0|1,0,0]=3 711 B7R1.6 FCCC1CNC1 P50454 [0,1,0,1,0,0|1,0,0]=3 712 B7R1.6 ICCC1CCO1 Q56184 [0,1,0,1,0,0|0,0,0]=2 713 B7R1.6 ICCC1COC1 Q62634 [0,1,0,1,0,0|1,0,0]=3 714 B7R1.6 N#CCC1CCC1 P38067 [0,1,0,1,0,0|1,0,0]=3 715 B7R1.6 N#CCC1CNC1 F-4847 [0,1,0,1,0,0|1,0,1]=4 716 B7R1.6 N#CCC1CNC1 I-9990 [0,1,0,1,0,0|1,0,1]=4 717 B7R1.6 N#CCC1COC1 M23104 [0,1,0,1,0,0|1,0,1]=4 718 B7R1.6 N#CCN1CCC1 P45336 [0,1,0,1,0,0|1,0,1]=4 719 B7R1.6 NCCC1CCC1 L18182 [0,1,0,1,0,0|1,0,0]=3 720 B7R1.6 NCCC1CCC1 P48448 [0,1,0,1,0,0|1,0,0]=3 721 B7R1.6 NCCC1CCO1 O32973 [0,1,0,1,0,0|0,0,0]=2 722 B7R1.6 NCCC1CNC1 P48388 [0,1,0,1,0,0|1,0,0]=3 723 B7R1.6 NCCC1COC1 P49100 [0,1,0,1,0,0|1,0,0]=3 724 B7R1.6 NCCC1CSC1 Q58816 [0,1,0,1,0,0|1,0,0]=3 725 B7R1.6 NCCN1CCC1 L14069 [0,1,0,1,0,0|1,0,0]=3 726 B7R1.6 NCC[C@@H]1CCO1 Q56188 [0,1,0,1,0,0|0,0,0]=2 727 B7R1.6 NCC[C@H]1CCO1 Q56187 [0,1,0,1,0,0|0,0,0]=2 728 B7R1.6 NNCC1CCC1 L14190 [0,1,0,1,0,0|1,0,0]=3 729 B7R1.6 O=C=NC1CCC1 P45443 [0,1,0,1,0,0|0,0,2]=4 730 B7R1.6 O=CCC1CCC1 P45355 [0,1,0,1,0,0|0,0,1]=3 731 B7R1.6 O=CCC1CCO1 Q56186 [0,1,0,1,0,0|0,0,1]=3 732 B7R1.6 O=CCN1CCC1 P47882 [0,1,0,1,0,0|0,0,2]=4 733 B7R1.6 OCC=C1CCC1 P45610 [0,1,0,1,0,0|0,0,1]=3 734 B7R1.6 OCCC1CCC1 P34706 [0,1,0,1,0,0|0,0,0]=2 735 B7R1.6 OCCC1CCO1 F-4763 [0,1,0,1,0,0|0,0,0]=2 736 B7R1.6 OCCC1CNC1 L21357 [0,1,0,1,0,0|0,0,0]=2 737 B7R1.6 OCCC1CNC1 P44027 [0,1,0,1,0,0|0,0,0]=2 738 B7R1.6 OCCC1COC1 G-5285 [0,1,0,1,0,0|0,0,0]=2 739 B7R1.6 OCCC1CSC1 Q58815 [0,1,0,1,0,0|0,0,0]=2 740 B7R1.6 OCCN1CCC1 P44493 [0,1,0,1,0,0|0,0,0]=2 741 B7R1.6 OCC[C@@H]1CCO1 Q56146 [0,1,0,1,0,0|0,0,0]=2 742 B7R1.6 OCC[C@H]1CCO1 Q56145 [0,1,0,1,0,0|0,0,0]=2 743 B7R1.6 S=C=NC1CCC1 P45411 [0,1,0,1,0,0|0,1,1]=4 744 B7R1.8 CC1CCC1CO P48346 [0,1,0,1,0,0|0,0,0]=2 745 B7R1.8 CC1NCC1C#N P50215 [0,1,0,1,0,0|1,0,1]=4 746 B7R1.8 CC1OCC1CO Q56093 [0,1,0,1,0,0|0,0,0]=2 747 B7R1.8 CN1CCC1CN L18103 [0,1,0,1,0,0|1,0,0]=3 748 B7R1.8 CN1CCC1CN P43972 [0,1,0,1,0,0|1,0,0]=3 749 B7R1.8 CN1CCC1CO P47720 [0,1,0,1,0,0|0,0,0]=2 750 B7R1.8 CN1CC[C@@H]1CN L18105 [0,1,0,1,0,0|1,0,0]=3 751 B7R1.8 CN1CC[C@@H]1CN P43970 [0,1,0,1,0,0|1,0,0]=3 752 B7R1.8 CN1CC[C@@H]1CO P46629 [0,1,0,1,0,0|0,0,0]=2 753 B7R1.8 CN1CC[C@H]1CN L18104 [0,1,0,1,0,0|1,0,0]=3 754 B7R1.8 CN1CC[C@H]1CN P43971 [0,1,0,1,0,0|1,0,0]=3 755 B7R1.8 CN1CC[C@H]1CO P44139 [0,1,0,1,0,0|0,0,0]=2 756 B7R1.8 COC1CCC1=O P45632 [0,1,0,1,0,0|0,0,2]=4 757 B7R1.8 CO[C@@H]1CC[C@@H]1N P50889 [0,1,0,1,0,0|1,0,0]=3 758 B7R1.8 CO[C@@H]1CC[C@@H]1N P50890 [0,1,0,1,0,0|1,0,0]=3 759 B7R1.8 CO[C@@H]1CC[C@H]1N P46967 [0,1,0,1,0,0|1,0,0]=3 760 B7R1.8 CO[C@@H]1CC[C@H]1N P50886 [0,1,0,1,0,0|1,0,0]=3 761 B7R1.8 CO[C@H]1CC[C@@H]1N P50517 [0,1,0,1,0,0|1,0,0]=3 762 B7R1.8 CO[C@H]1CC[C@H]1N P50488 [0,1,0,1,0,0|1,0,0]=3 763 B7R1.8 NCC1CCC1F P47834 [0,1,0,1,0,0|1,0,0]=3 764 B7R1.8 NCC1CCC1F P50566 [0,1,0,1,0,0|1,0,0]=3 765 B7R1.8 O=C1CCC1CO L18510 [0,1,0,1,0,0|0,0,1]=3 766 B7R1.8 OCC1CCC1F P47249 [0,1,0,1,0,0|0,0,0]=2 767 B7R1.8 OCC1CCC1O P50851 [0,1,0,1,0,0|0,0,0]=2 768 B7R1.8 OC[C@@H]1CC[C@H]1O P50820 [0,1,0,1,0,0|0,0,0]=2 769 B7R1.8 OC[C@H]1CC[C@H]1O P48230 [0,1,0,1,0,0|0,0,0]=2 770 B7R1.9 OC[C@H]1C[C@H]1CO L22279 [0,1,0,1,0,0|0,0,0]=2 771 B7R1.10 C#CC1CC(F)C1 P47347 [0,1,0,1,0,0|1,0,1]=4 772 B7R1.10 C=C1CC(CBr)C1 P49895 [0,1,0,1,0,0|1,0,1]=4 773 B7R1.10 C=C1CC(CO)C1 P49896 [0,1,0,1,0,0|0,0,1]=3 774 B7R1.10 CCC1CC(=O)C1 P44071 [0,1,0,1,0,0|0,0,2]=4 775 B7R1.10 CCC1CC(N)C1 P48761 [0,1,0,1,0,0|1,0,0]=3 776 B7R1.10 CCN1CC(N)C1 H-8173 [0,1,0,1,0,0|2,0,0]=4 777 B7R1.10 CCN1CC(N)C1 P46517 [0,1,0,1,0,0|2,0,0]=4 778 B7R1.10 CCN1CC(O)C1 C-2413 [0,1,0,1,0,0|1,0,0]=3 779 B7R1.10 CCN1CC(O)C1 P44328 [0,1,0,1,0,0|1,0,0]=3 780 B7R1.10 CN1CC(CN)C1 I-9961 [0,1,0,1,0,0|2,0,0]=4 781 B7R1.10 CN1CC(CO)C1 L14119 [0,1,0,1,0,0|1,0,0]=3 782 B7R1.10 CN1CC(CO)C1 P45968 [0,1,0,1,0,0|1,0,0]=3 783 B7R1.10 CNC1CC(O)C1 G-5725 [0,1,0,1,0,0|1,0,0]=3 784 B7R1.10 CNC1CC(O)C1 P48534 [0,1,0,1,0,0|1,0,0]=3 785 B7R1.10 CN[C@H]1C[C@@H](O)C1 I-9565 [0,1,0,1,0,0|1,0,0]=3 786 B7R1.10 CN[C@H]1C[C@H](O)C1 G-7351 [0,1,0,1,0,0|1,0,0]=3 787 B7R1.10 CN[C@H]1C[C@H](O)C1 P49935 [0,1,0,1,0,0|1,0,0]=3 788 B7R1.10 COC1CC(Br)C1 P47967 [0,1,0,1,0,0|2,0,0]=4 789 B7R1.10 COC1CC(N)C1 C-3383 [0,1,0,1,0,0|2,0,0]=4 790 B7R1.10 COC1CC(N)C1 G-5007 [0,1,0,1,0,0|2,0,0]=4 791 B7R1.10 COC1CC(O)C1 P48191 [0,1,0,1,0,0|1,0,0]=3 792 B7R1.10 CO[C@H]1C[C@@H](N)C1 C-3621 [0,1,0,1,0,0|2,0,0]=4 793 B7R1.10 CO[C@H]1C[C@@H](N)C1 C-3621-1 [0,1,0,1,0,0|2,0,0]=4 794 B7R1.10 CO[C@H]1C[C@@H](O)C1 P46991 [0,1,0,1,0,0|1,0,0]=3 795 B7R1.10 CO[C@H]1C[C@H](Br)C1 P47002 [0,1,0,1,0,0|2,0,0]=4 796 B7R1.10 CO[C@H]1C[C@H](N)C1 C-3622 [0,1,0,1,0,0|2,0,0]=4 797 B7R1.10 CO[C@H]1C[C@H](N)C1 C-3622-1 [0,1,0,1,0,0|2,0,0]=4 798 B7R1.10 CO[C@H]1C[C@H](O)C1 P46971 [0,1,0,1,0,0|1,0,0]=3 799 B7R1.10 F[C@H]1C[C@@H](CBr)C1 P46113 [0,1,0,1,0,0|1,0,0]=3 800 B7R1.10 F[C@H]1C[C@H](CBr)C1 P47090 [0,1,0,1,0,0|1,0,0]=3 801 B7R1.10 N#CC1CC(Cl)C1 P46430 [0,1,0,1,0,0|1,0,1]=4 802 B7R1.10 N#CC1CC(F)C1 L21384 [0,1,0,1,0,0|1,0,1]=4 803 B7R1.10 N#CC1CC(N)C1 G-6943 [0,1,0,1,0,0|1,0,1]=4 804 B7R1.10 N#CC1CC(O)C1 L13803 [0,1,0,1,0,0|1,0,1]=4 805 B7R1.10 N#C[C@H]1C[C@@H](N)C1 L21346 [0,1,0,1,0,0|1,0,1]=4 806 B7R1.10 N#C[C@H]1C[C@@H](N)C1 P47440 [0,1,0,1,0,0|1,0,1]=4 807 B7R1.10 N#C[C@H]1C[C@@H](O)C1 P44973 [0,1,0,1,0,0|1,0,1]=4 808 B7R1.10 N#C[C@H]1C[C@H](N)C1 P47570 [0,1,0,1,0,0|1,0,1]=4 809 B7R1.10 N#C[C@H]1C[C@H](N)C1 P49402 [0,1,0,1,0,0|1,0,1]=4 810 B7R1.10 N#C[C@H]1C[C@H](O)C1 P44972 [0,1,0,1,0,0|1,0,1]=4 811 B7R1.10 NC1CC(CO)C1 C-3529 [0,1,0,1,0,0|0,0,0]=2 812 B7R1.10 NC1CC(CO)C1 P44453 [0,1,0,1,0,0|0,0,0]=2 813 B7R1.10 NCC1CC(=O)C1 C-2921 [0,1,0,1,0,0|1,0,1]=4 814 B7R1.10 NCC1CC(F)C1 G-6332 [0,1,0,1,0,0|1,0,0]=3 815 B7R1.10 NCC1CC(O)C1 G-5291 [0,1,0,1,0,0|1,0,0]=3 816 B7R1.10 NCC1CC(O)C1 P47397 [0,1,0,1,0,0|1,0,0]=3 817 B7R1.10 NC[C@H]1C[C@@H](F)C1 P43938 [0,1,0,1,0,0|1,0,0]=3 818 B7R1.10 NC[C@H]1C[C@@H](O)C1 C-2431 [0,1,0,1,0,0|1,0,0]=3 819 B7R1.10 NC[C@H]1C[C@@H](O)C1 P44178 [0,1,0,1,0,0|1,0,0]=3 820 B7R1.10 NC[C@H]1C[C@H](F)C1 G-7260 [0,1,0,1,0,0|1,0,0]=3 821 B7R1.10 NC[C@H]1C[C@H](O)C1 C-2432 [0,1,0,1,0,0|1,0,0]=3 822 B7R1.10 NC[C@H]1C[C@H](O)C1 C-2432-01 [0,1,0,1,0,0|1,0,0]=3 823 B7R1.10 NN[C@H]1C[C@@H](F)C1 P50331 [0,1,0,1,0,0|2,0,0]=4 824 B7R1.10 NN[C@H]1C[C@@H](O)C1 P50573 [0,1,0,1,0,0|2,0,0]=4 825 B7R1.10 NN[C@H]1C[C@H](F)C1 P50327 [0,1,0,1,0,0|2,0,0]=4 826 B7R1.10 NN[C@H]1C[C@H](O)C1 P50572 [0,1,0,1,0,0|2,0,0]=4 827 B7R1.10 N[C@H]1C[C@@H](CF)C1 P50484 [0,1,0,1,0,0|1,0,0]=3 828 B7R1.10 N[C@H]1C[C@@H](CO)C1 C-3635 [0,1,0,1,0,0|0,0,0]=2 829 B7R1.10 N[C@H]1C[C@@H](CO)C1 P48253 [0,1,0,1,0,0|0,0,0]=2 830 B7R1.10 N[C@H]1C[C@H](CO)C1 C-3636 [0,1,0,1,0,0|0,0,0]=2 831 B7R1.10 N[C@H]1C[C@H](CO)C1 P49246 [0,1,0,1,0,0|0,0,0]=2 832 B7R1.10 O=C1CC(CBr)C1 G-6631 [0,1,0,1,0,0|1,0,1]=4 833 B7R1.10 O=C1CC(CBr)O1 Q57248 [0,1,0,1,0,0|1,0,1]=4 834 B7R1.10 O=C1CC(CCl)C1 L13121 [0,1,0,1,0,0|1,0,1]=4 835 B7R1.10 O=C1CC(CF)C1 P44872 [0,1,0,1,0,0|1,0,1]=4 836 B7R1.10 O=C1CC(CO)C1 D-2565 [0,1,0,1,0,0|0,0,1]=3 837 B7R1.10 O=C1CC(CO)N1 P45245 [0,1,0,1,0,0|1,0,1]=4 838 B7R1.10 O=C1C[C@H](CO)N1 Q53600 [0,1,0,1,0,0|1,0,1]=4 839 B7R1.10 O=CC1CC(F)C1 P47244 [0,1,0,1,0,0|0,0,2]=4 840 B7R1.10 OC1CC(CBr)C1 P47356 [0,1,0,1,0,0|1,0,0]=3 841 B7R1.10 OC1CC(CF)C1 P47254 [0,1,0,1,0,0|1,0,0]=3 842 B7R1.10 OCC1CC(Cl)C1 I-9035 [0,1,0,1,0,0|0,0,0]=2 843 B7R1.10 OCC1CC(F)C1 O33399 [0,1,0,1,0,0|0,0,0]=2 844 B7R1.10 OCC1CC(O)C1 P49195 [0,1,0,1,0,0|0,0,0]=2 845 B7R1.10 O[C@H]1C[C@@H](CBr)C1 P46704 [0,1,0,1,0,0|1,0,0]=3 846 B7R1.10 O[C@H]1C[C@@H](CF)C1 P46123 [0,1,0,1,0,0|1,0,0]=3 847 B7R1.10 O[C@H]1C[C@H](CBr)C1 P46014 [0,1,0,1,0,0|1,0,0]=3 848 B7R1.21 CC1(CCO)CC1 L14283 [0,1,0,1,0,0|0,0,0]=2 849 B7R1.21 OCCC1(O)CC1 O33441 [0,1,0,1,0,0|0,0,0]=2 850 B7R1.22 CCC(=O)C1CC1 I-9941 [0,1,0,1,0,0|1,0,1]=4 851 B7R1.22 CCC(N)C1CC1 L14734 [0,1,0,1,0,0|1,0,0]=3 852 B7R1.22 CCC(O)C1CC1 L14172 [0,1,0,1,0,0|1,0,0]=3 853 B7R1.22 CNC(C)C1CC1 P42683 [0,1,0,1,0,0|2,0,0]=4 854 B7R1.22 NC(CO)C1CC1 P36106 [0,1,0,1,0,0|0,0,0]=2 855 B7R1.22 NCC(O)C1CC1 P37544 [0,1,0,1,0,0|1,0,0]=3 856 B7R1.22 N[C@@H](CO)C1CC1 P41862 [0,1,0,1,0,0|0,0,0]=2 857 B7R1.22 N[C@H](CO)C1CC1 P42349 [0,1,0,1,0,0|0,0,0]=2 858 B7R1.25 C#CC1(N)CCC1 P44812 [0,1,0,1,0,0|1,0,1]=4 859 B7R1.25 C#CC1(N)CCC1 P48957 [0,1,0,1,0,0|1,0,1]=4 860 B7R1.25 CC1(C=O)CCC1 P45357 [0,1,0,1,0,0|0,0,2]=4 861 B7R1.25 CC1(CBr)CCC1 P44691 [0,1,0,1,0,0|1,0,0]=3 862 B7R1.25 CC1(CBr)CCO1 Q54729 [0,1,0,1,0,0|1,0,0]=3 863 B7R1.25 CC1(CBr)CNC1 P50067 [0,1,0,1,0,0|2,0,0]=4 864 B7R1.25 CC1(CBr)COC1 C-3487 [0,1,0,1,0,0|2,0,0]=4 865 B7R1.25 CC1(CCl)CCC1 P45668 [0,1,0,1,0,0|1,0,0]=3 866 B7R1.25 CC1(CF)CCN1 P47255 [0,1,0,1,0,0|2,0,0]=4 867 B7R1.25 CC1(CF)CNC1 P47232 [0,1,0,1,0,0|2,0,0]=4 868 B7R1.25 CC1(CF)CNC1 P50193 [0,1,0,1,0,0|2,0,0]=4 869 B7R1.25 CC1(CI)CCO1 Q55856 [0,1,0,1,0,0|1,0,0]=3 870 B7R1.25 CC1(CI)COC1 G-5286 [0,1,0,1,0,0|2,0,0]=4 871 B7R1.25 CC1(CN)CCC1 G-6314 [0,1,0,1,0,0|1,0,0]=3 872 B7R1.25 CC1(CN)CCC1 P44811 [0,1,0,1,0,0|1,0,0]=3 873 B7R1.25 CC1(CN)CCO1 Q55436 [0,1,0,1,0,0|1,0,0]=3 874 B7R1.25 CC1(CN)CNC1 G-5893 [0,1,0,1,0,0|2,0,0]=4 875 B7R1.25 CC1(CN)COC1 C-2245 [0,1,0,1,0,0|2,0,0]=4 876 B7R1.25 CC1(CO)CCC1 P38399 [0,1,0,1,0,0|0,0,0]=2 877 B7R1.25 CC1(CO)CCN1 P48829 [0,1,0,1,0,0|1,0,0]=3 878 B7R1.25 CC1(CO)CCN1 P50194 [0,1,0,1,0,0|1,0,0]=3 879 B7R1.25 CC1(CO)CCN1 P50195 [0,1,0,1,0,0|1,0,0]=3 880 B7R1.25 CC1(CO)CCO1 Q62788 [0,1,0,1,0,0|1,0,0]=3 881 B7R1.25 CC1(CO)CNC1 L21441 [0,1,0,1,0,0|1,0,0]=3 882 B7R1.25 CC1(CO)CNC1 P48076 [0,1,0,1,0,0|1,0,0]=3 883 B7R1.25 CC1(CS)COC1 Q51971 [0,1,0,1,0,0|1,1,0]=4 884 B7R1.25 CCC1(C)CNC1 P47022 [0,1,0,1,0,0|2,0,0]=4 885 B7R1.25 CCC1(C)CNC1 P47941 [0,1,0,1,0,0|2,0,0]=4 886 B7R1.25 CCC1(N)CCC1 P45271 [0,1,0,1,0,0|1,0,0]=3 887 B7R1.25 CCC1(N)CCC1 P45837 [0,1,0,1,0,0|1,0,0]=3 888 B7R1.25 CCC1(N)CNC1 O33281 [0,1,0,1,0,0|2,0,0]=4 889 B7R1.25 CCC1(N)CNC1 P43157 [0,1,0,1,0,0|2,0,0]=4 890 B7R1.25 CCC1(N)CNC1 P45038 [0,1,0,1,0,0|2,0,0]=4 891 B7R1.25 CCC1(N)COC1 G-5819 [0,1,0,1,0,0|2,0,0]=4 892 B7R1.25 CCC1(O)CNC1 D-2504 [0,1,0,1,0,0|2,0,0]=4 893 B7R1.25 CCC1(O)CNC1 P48641 [0,1,0,1,0,0|2,0,0]=4 894 B7R1.25 FC1(CBr)CCC1 P48063 [0,1,0,1,0,0|1,0,0]=3 895 B7R1.25 FC1(CBr)CNC1 P50068 [0,1,0,1,0,0|2,0,0]=4 896 B7R1.25 FC1(CBr)COC1 G-6300 [0,1,0,1,0,0|2,0,0]=4 897 B7R1.25 FC1(CI)COC1 G-7918 [0,1,0,1,0,0|2,0,0]=4 898 B7R1.25 FCC1(F)CNC1 O33196 [0,1,0,1,0,0|2,0,0]=4 899 B7R1.25 FCC1(F)CNC1 P48057 [0,1,0,1,0,0|2,0,0]=4 900 B7R1.25 N#CC1(N)CCC1 F-4569 [0,1,0,1,0,0|1,0,1]=4 901 B7R1.25 N#CC1(N)CCC1 P35846 [0,1,0,1,0,0|1,0,1]=4 902 B7R1.25 N#CC1(O)CCC1 P45474 [0,1,0,1,0,0|1,0,1]=4 903 B7R1.25 NC1(CF)CCC1 P48954 [0,1,0,1,0,0|1,0,0]=3 904 B7R1.25 NC1(CF)CCC1 P48955 [0,1,0,1,0,0|1,0,0]=3 905 B7R1.25 NC1(CF)COC1 O33368 [0,1,0,1,0,0|2,0,0]=4 906 B7R1.25 NC1(CF)COC1 Q64300 [0,1,0,1,0,0|2,0,0]=4 907 B7R1.25 NC1(CF)COC1 Q64301 [0,1,0,1,0,0|2,0,0]=4 908 B7R1.25 NC1(CO)CCC1 L13691 [0,1,0,1,0,0|0,0,0]=2 909 B7R1.25 NC1(CO)CCC1 P47084 [0,1,0,1,0,0|0,0,0]=2 910 B7R1.25 NC1(CO)COC1 G-5980 [0,1,0,1,0,0|1,0,0]=3 911 B7R1.25 NCC1(F)CCC1 L14376 [0,1,0,1,0,0|1,0,0]=3 912 B7R1.25 NCC1(F)CNC1 P46507 [0,1,0,1,0,0|2,0,0]=4 913 B7R1.25 NCC1(F)COC1 G-6299 [0,1,0,1,0,0|2,0,0]=4 914 B7R1.25 NCC1(N)CCC1 P45183 [0,1,0,1,0,0|1,0,0]=3 915 B7R1.25 NCC1(N)CCC1 P45615 [0,1,0,1,0,0|1,0,0]=3 916 B7R1.25 NCC1(N)COC1 G-6639 [0,1,0,1,0,0|2,0,0]=4 917 B7R1.25 NCC1(O)CCC1 L14902 [0,1,0,1,0,0|1,0,0]=3 918 B7R1.25 NCC1(O)COC1 G-6435 [0,1,0,1,0,0|2,0,0]=4 919 B7R1.25 OC1(CF)CNC1 P50832 [0,1,0,1,0,0|2,0,0]=4 920 B7R1.25 OC1(CF)COC1 Q55859 [0,1,0,1,0,0|2,0,0]=4 921 B7R1.25 OCC1(F)CCC1 P48894 [0,1,0,1,0,0|0,0,0]=2 922 B7R1.25 OCC1(F)CNC1 G-7354 [0,1,0,1,0,0|1,0,0]=3 923 B7R1.25 OCC1(F)CNC1 P47031 [0,1,0,1,0,0|1,0,0]=3 924 B7R1.25 OCC1(F)COC1 G-6298 [0,1,0,1,0,0|1,0,0]=3 925 B7R1.25 OCC1(O)CNC1 L14410 [0,1,0,1,0,0|1,0,0]=3 926 B7R1.25 OCC1(O)CNC1 P44803 [0,1,0,1,0,0|1,0,0]=3 927 B7R1.25 OCC1(O)CNC1 P44804 [0,1,0,1,0,0|1,0,0]=3 928 B7R1.25 OCC1(O)COC1 L13940 [0,1,0,1,0,0|1,0,0]=3 929 B7R1.7 CCCNC1CC1 P36383 [0,1,0,1,0,0|1,0,0]=3 930 B7R1.7 CCCNC1CC1 P41552 [0,1,0,1,0,0|1,0,0]=3 931 B7R1.7 CNCCC1CC1 P40835 [0,1,0,1,0,0|1,0,0]=3 932 B7R1.7 NCCNC1CC1 O30035 [0,1,0,1,0,0|1,0,0]=3 933 B7R1.7 OCC#CC1CC1 L14728 [0,1,0,1,0,0|0,0,1]=3 934 B7R1.7 OCCNC1CC1 P38598 [0,1,0,1,0,0|0,0,0]=2 935 B7R1.12 CC1CC1C(=O)Cl O31612 [0,1,0,1,0,0|0,0,2]=4 936 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P44059 [0,1,0,1,0,0|0,0,1]=3 937 B7R1.12 C[C@@H]1C[C@H]1C(=O)O L22375 [0,1,0,1,0,0|0,0,1]=3 938 B7R1.12 C[C@H]1C[C@H]1C(=O)O O33127 [0,1,0,1,0,0|0,0,1]=3 939 B7R1.12 O=C(O)C1CC1F Q52394 [0,1,0,1,0,0|1,0,1]=4 940 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F K10809 [0,1,0,1,0,0|1,0,1]=4 941 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33126 [0,1,0,1,0,0|1,0,1]=4 942 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33327 [0,1,0,1,0,0|1,0,1]=4 943 B7R1.12 O=C(O)[C@H]1C[C@@H]1F O33229 [0,1,0,1,0,0|1,0,1]=4 944 B7R1.12 O=C(O)[C@H]1C[C@H]1F K10802 [0,1,0,1,0,0|1,0,1]=4 945 B7R1.14 CC1(C)CCCN1 A-592 [0,1,0,1,0,0|1,0,0]=3 946 B7R1.14 CC1(C)CCCN1 Q51927 [0,1,0,1,0,0|1,0,0]=3 947 B7R1.14 CC1(C)CCNC1 I-9310 [0,1,0,1,0,0|2,0,0]=4 948 B7R1.14 CC1(C)CCNC1 Q56449 [0,1,0,1,0,0|2,0,0]=4 949 B7R1.14 CC1(F)CCNC1 L14429 [0,1,0,1,0,0|2,0,0]=4 950 B7R1.14 CC1(F)CCNC1 Q61800 [0,1,0,1,0,0|2,0,0]=4 951 B7R1.14 CC1(N)CCCC1 Q57352 [0,1,0,1,0,0|1,0,0]=3 952 B7R1.14 CC1(N)CCNC1 Q61976 [0,1,0,1,0,0|2,0,0]=4 953 B7R1.14 CC1(N)CCNC1 Q61977 [0,1,0,1,0,0|2,0,0]=4 954 B7R1.14 CC1(N)CCOC1 F-4690 [0,1,0,1,0,0|2,0,0]=4 955 B7R1.14 CC1(O)CCNC1 D-2556 [0,1,0,1,0,0|1,0,0]=3 956 B7R1.14 CC1(O)CCNC1 O28700 [0,1,0,1,0,0|1,0,0]=3 957 B7R1.14 C[C@@]1(F)CCNC1 Q56047 [0,1,0,1,0,0|2,0,0]=4 958 B7R1.14 C[C@@]1(F)CCNC1 Q56048 [0,1,0,1,0,0|2,0,0]=4 959 B7R1.14 C[C@@]1(O)CCNC1 H-8070 [0,1,0,1,0,0|1,0,0]=3 960 B7R1.14 C[C@@]1(O)CCNC1 Q52190 [0,1,0,1,0,0|1,0,0]=3 961 B7R1.14 C[C@]1(F)CCNC1 Q61810 [0,1,0,1,0,0|2,0,0]=4 962 B7R1.14 C[C@]1(F)CCNC1 Q61811 [0,1,0,1,0,0|2,0,0]=4 963 B7R1.14 C[C@]1(O)CCNC1 H-8071 [0,1,0,1,0,0|1,0,0]=3 964 B7R1.14 C[C@]1(O)CCNC1 O33042 [0,1,0,1,0,0|1,0,0]=3 965 B7R1.14 FC1(F)CCNC1 C-2209 [0,1,0,1,0,0|2,0,0]=4 966 B7R1.17 CC1(C)CCC1=O Q54759 [0,1,0,1,0,0|0,0,2]=4 967 B7R1.17 CC1(C)CCC1O O32944 [0,1,0,1,0,0|0,0,0]=2 968 B7R1.17 CC1(C)NCC1N P44080 [0,1,0,1,0,0|2,0,0]=4 969 B7R1.17 CC1(C)NCC1N P48748 [0,1,0,1,0,0|2,0,0]=4 970 B7R1.17 CC1(C)NCC1O K13397 [0,1,0,1,0,0|1,0,0]=3 971 B7R1.17 CC1(C)NCC1O P47335 [0,1,0,1,0,0|1,0,0]=3 972 B7R1.17 CC1(C)OCC1Br Q52792 [0,1,0,1,0,0|2,0,0]=4 973 B7R1.17 CC1(C)OCC1I Q52793 [0,1,0,1,0,0|2,0,0]=4 974 B7R1.17 CC1(C)OCC1N Q52791 [0,1,0,1,0,0|2,0,0]=4 975 B7R1.17 CC1(C)OCC1O Q52790 [0,1,0,1,0,0|1,0,0]=3 976 B7R1.17 CC1(C)SCC1N Q58807 [0,1,0,1,0,0|2,0,0]=4 977 B7R1.17 CC1(C)SCC1N Q58808 [0,1,0,1,0,0|2,0,0]=4 978 B7R1.17 CC1(C)SC[C@H]1N Q58818 [0,1,0,1,0,0|2,0,0]=4 979 B7R1.17 CC1NCC1(F)F P47446 [0,1,0,1,0,0|2,0,0]=4 980 B7R1.17 C[C@@H]1NCC1(F)F P50108 [0,1,0,1,0,0|2,0,0]=4 981 B7R1.17 C[C@H]1NCC1(F)F P50083 [0,1,0,1,0,0|2,0,0]=4 982 B7R1.17 NC1CCC1(F)F F-4874 [0,1,0,1,0,0|2,0,0]=4 983 B7R1.17 NC1CCC1(F)F P49059 [0,1,0,1,0,0|2,0,0]=4 984 B7R1.17 OC1CCC1(F)F P46292 [0,1,0,1,0,0|1,0,0]=3 985 B7R1.18 CC(=O)C1CCC1 Q54751 [0,1,0,1,0,0|0,0,2]=4 986 B7R1.18 CC(C)C1CCN1 P45191 [0,1,0,1,0,0|1,0,0]=3 987 B7R1.18 CC(C)C1CCN1 P48185 [0,1,0,1,0,0|1,0,0]=3 988 B7R1.18 CC(C)C1CNC1 P48267 [0,1,0,1,0,0|2,0,0]=4 989 B7R1.18 CC(C)C1CNC1 P48289 [0,1,0,1,0,0|2,0,0]=4 990 B7R1.18 CC(F)C1CNC1 P47135 [0,1,0,1,0,0|2,0,0]=4 991 B7R1.18 CC(N)C1CCC1 L22474 [0,1,0,1,0,0|1,0,0]=3 992 B7R1.18 CC(N)C1CCC1 P45412 [0,1,0,1,0,0|1,0,0]=3 993 B7R1.18 CC(N)C1COC1 L21399 [0,1,0,1,0,0|2,0,0]=4 994 B7R1.18 CC(N)C1COC1 Q52428 [0,1,0,1,0,0|2,0,0]=4 995 B7R1.18 CC(O)C1CCC1 P45236 [0,1,0,1,0,0|0,0,0]=2 996 B7R1.18 CC(O)C1CNC1 L18023 [0,1,0,1,0,0|1,0,0]=3 997 B7R1.18 CC(O)C1CNC1 P43762 [0,1,0,1,0,0|1,0,0]=3 998 B7R1.18 CC(O)C1COC1 P47968 [0,1,0,1,0,0|1,0,0]=3 999 B7R1.18 C[C@@H](N)C1CCC1 P45187 [0,1,0,1,0,0|1,0,0]=3 1000 B7R1.18 C[C@@H](N)C1CCC1 P45332 [0,1,0,1,0,0|1,0,0]=3 1001 B7R1.18 C[C@@H](O)C1COC1 Q53307 [0,1,0,1,0,0|1,0,0]=3 1002 B7R1.18 C[C@H](N)C1CCC1 P48628 [0,1,0,1,0,0|1,0,0]=3 1003 B7R1.18 C[C@H](O)C1CCC1 P47847 [0,1,0,1,0,0|0,0,0]=2 1004 B7R1.18 C[C@H](O)C1COC1 Q53308 [0,1,0,1,0,0|1,0,0]=3 1005 B7R1.18 FC(F)C1CCN1 P46960 [0,1,0,1,0,0|2,0,0]=4 1006 B7R1.18 FC(F)C1CCN1 P47149 [0,1,0,1,0,0|2,0,0]=4 1007 B7R1.18 FC(F)C1CNC1 F-4831 [0,1,0,1,0,0|2,0,0]=4 1008 B7R1.18 FC(F)C1CNC1 P49063 [0,1,0,1,0,0|2,0,0]=4 1009 B7R1.18 FC(F)[C@@H]1CCN1 P50374 [0,1,0,1,0,0|2,0,0]=4 1010 B7R1.18 FC(F)[C@H]1CCN1 P50373 [0,1,0,1,0,0|2,0,0]=4 1011 B7R1.18 N=C(N)C1CCC1 G-7205 [0,1,0,1,0,0|1,0,1]=4 1012 B7R1.18 NC(=O)C1CCC1 O34470 [0,1,0,1,0,0|0,0,2]=4 1013 B7R1.18 NC(=S)C1CCC1 P47843 [0,1,0,1,0,0|0,1,1]=4 1014 B7R1.18 O=C(O)C1CCN1 B-1112 [0,1,0,1,0,0|1,0,1]=4 1015 B7R1.18 O=C(O)C1CCO1 D-2702 [0,1,0,1,0,0|1,0,1]=4 1016 B7R1.18 O=C(O)C1CNC1 A-422 [0,1,0,1,0,0|1,0,1]=4 1017 B7R1.18 O=C(O)C1CNC1 P42961 [0,1,0,1,0,0|1,0,1]=4 1018 B7R1.18 O=C(O)C1COC1 A-970 [0,1,0,1,0,0|1,0,1]=4 1019 B7R1.18 O=C(O)C1CSC1 H-8019 [0,1,0,1,0,0|1,0,1]=4 1020 B7R1.18 O=C(O)[C@@H]1CCN1 B-1110 [0,1,0,1,0,0|1,0,1]=4 1021 B7R1.18 O=C(O)[C@@H]1CCN1 P46195 [0,1,0,1,0,0|1,0,1]=4 1022 B7R1.18 O=C(O)[C@@H]1CCO1 Q62698 [0,1,0,1,0,0|1,0,1]=4 1023 B7R1.18 O=C(O)[C@H]1CCN1 B-1109 [0,1,0,1,0,0|1,0,1]=4 1024 B7R1.18 O=C(O)[C@H]1CCN1 P45364 [0,1,0,1,0,0|1,0,1]=4 1025 B7R1.18 O=C(O)[C@H]1CCO1 Q62699 [0,1,0,1,0,0|1,0,1]=4 1026 B7R1.18 OB(O)C1CCC1 P45097 [0,1,0,1,0,0|1,0,0]=3 1027 B7R1.20 CC(C)NC1CC1 M23094 [0,1,0,1,0,0|2,0,0]=4 1028 B7R1.20 CC(O)CC1CC1 O29763 [0,1,0,1,0,0|0,0,0]=2 1029 B7R1.20 O=C(Cl)CC1CC1 Q54347 [0,1,0,1,0,0|0,0,2]=4 1030 B7R1.20 O=C(O)CC1CC1 F-4292 [0,1,0,1,0,0|0,0,1]=3 1031 B7R1.20 O=C(O)CC1CO1 P45743 [0,1,0,1,0,0|1,0,1]=4 1032 B7R1.23 CC1(C)CC1CO P35038 [0,1,0,1,0,0|0,0,0]=2 1033 B7R1.23 OCC1CC1(F)F P45542 [0,1,0,1,0,0|1,0,0]=3 1034 B7R1.23 OC[C@@H]1CC1(F)F Q64118 [0,1,0,1,0,0|1,0,0]=3 1035 B7R1.24 C1CNCCOC1 O28784 [0,1,0,1,0,0|0,0,0]=2 1036 B7R2.13 C1=CC2OC2C1 Q61735 [0,0,0,2,0,0|0,0,2]=4 1037 B7R2.13 C1CC2CC2N1 L14349 [0,0,0,2,0,0|1,0,0]=3 1038 B7R2.13 C1CC2CC2N1 Q56284 [0,0,0,2,0,0|1,0,0]=3 1039 B7R2.13 C1CC2NC2C1 Q59136 [0,0,0,2,0,0|1,0,0]=3 1040 B7R2.13 C1C[C@@H]2C[C@@H]2N1 Q56920 [0,0,0,2,0,0|1,0,0]=3 1041 B7R2.13 C1C[C@H]2C[C@H]2N1 Q56921 [0,0,0,2,0,0|1,0,0]=3 1042 B7R2.13 C1NCC2CC12 C-2898 [0,0,0,2,0,0|1,0,0]=3 1043 B7R2.13 C1NCC2CC12 Q52508 [0,0,0,2,0,0|1,0,0]=3 1044 B7R2.13 C1OCC2OC12 I-9100 [0,0,0,2,0,0|1,0,0]=3 1045 B7R2.11 C1NC2CC1C2 F-4800 [0,0,0,2,0,0|1,0,0]=3 1046 B7R2.11 C1NC2CC1C2 P45727 [0,0,0,2,0,0|1,0,0]=3 1047 B7R2.3 BrC1CC12CC2 Q52700 [0,0,0,2,0,0|1,0,0]=3 1048 B7R2.16 C1CC12CNC2 L18227 [0,0,0,2,0,0|2,0,0]=4 1049 B7R2.16 C1CC12CNC2 P43788 [0,0,0,2,0,0|2,0,0]=4 1050 B7R2.16 C1CC12CNC2 Q57095 [0,0,0,2,0,0|2,0,0]=4 1051 B7R2.16 C1CC2(C1)CO2 Q57662 [0,0,0,2,0,0|0,0,0]=2 1052 B7R2.16 C1CC2(CC2)N1 Q53295 [0,0,0,2,0,0|1,0,0]=3 1053 B7R2.16 C1CC2(CC2)N1 Q53296 [0,0,0,2,0,0|1,0,0]=3 1054 B7R2.16 C1OCC12CO2 Q56041 [0,0,0,2,0,0|1,0,0]=3 1055 B7R2.8 NC1C2CC1C2 P45329 [0,0,0,2,0,0|1,0,0]=3 1056 B7R2.8 OC1C2CC1C2 Q61085 [0,0,0,2,0,0|0,0,0]=2 1057 B7R2.18 OCC12CC1C2 Q55434 [0,0,0,2,0,0|0,0,0]=2