0 B5R0.2 C#CCCCI P39399 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.2 C#CCCCO P37563 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.2 C#CCCNC L20446 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.2 C#CCNCC P37598 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.2 C#CCOCC O29883 [0,0,0,0,0,0|1,1,2]=4 5 B5R0.2 CCNCCCl L21040 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.2 CNCCSC M23087 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.2 CSCCCN P39434 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.2 NCCCCS L19142 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.2 [N-]=[N+]=NCCN P42423 [0,0,0,0,0,0|4,0,0]=4 10 B5R0.2 [N-]=[N+]=NCCO P41031 [0,0,0,0,0,0|4,0,0]=4 11 B4R0.2 C#CCCI P38108 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.2 C#CCCN O34440 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.2 C#CCNC P38619 [1,0,0,0,0,0|1,0,2]=4 14 B4R0.2 C#COCC P35055 [1,0,0,0,0,0|1,1,1]=4 15 B4R0.2 C=CCCN L22153 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.2 CC#CCBr P38739 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.2 CCCNN O30752 [1,0,0,0,0,0|2,0,0]=3 18 B4R0.2 CNCCBr O34465 [1,0,0,0,0,0|2,0,0]=3 19 B4R0.2 COCC=O F-4461 [1,0,0,0,0,0|1,1,1]=4 20 B4R0.2 COCCI O28025 [1,0,0,0,0,0|1,1,0]=3 21 B4R0.2 CSCCBr O31085 [1,0,0,0,0,0|1,0,0]=2 22 B4R0.2 CSCCN P36563 [1,0,0,0,0,0|1,0,0]=2 23 B4R0.2 NCCCS A-986 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.2 NCCCS M15465 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.1 C#CC(O)CCC P42817 [0,1,0,0,0,0|2,0,1]=4 26 B6R0.1 CCC(S)CCO O29430 [0,1,0,0,0,0|3,0,0]=4 27 B6R0.1 CCC[C@@H](N)CO P35977 [0,1,0,0,0,0|3,0,0]=4 28 B6R0.1 CCC[C@H](N)CO P39535 [0,1,0,0,0,0|3,0,0]=4 29 B6R0.1 CCN(C)CCO Q66070 [0,1,0,0,0,0|3,0,0]=4 30 B6R0.1 CCNC(=O)NC M15284 [0,1,0,0,0,0|3,0,0]=4 31 B6R0.1 CNC(=O)CCCl P38167 [0,1,0,0,0,0|3,0,0]=4 32 B6R0.1 CNC(=O)CCN P37692 [0,1,0,0,0,0|3,0,0]=4 33 B6R0.1 CNCC(=O)NC P37691 [0,1,0,0,0,0|3,0,0]=4 34 B6R0.1 CNCC(=O)NC P38046 [0,1,0,0,0,0|3,0,0]=4 35 B6R0.4 C#CCCC(C)O L18987 [0,1,0,0,0,0|2,0,1]=4 36 B6R0.4 CC(Br)CCC#N L20214 [0,1,0,0,0,0|3,0,0]=4 37 B6R0.4 CC(C)CCON L20789 [0,1,0,0,0,0|2,1,0]=4 38 B6R0.4 CC(C)NCCCl O34399 [0,1,0,0,0,0|3,0,0]=4 39 B6R0.4 CN(C)CCCBr O34500 [0,1,0,0,0,0|3,0,0]=4 40 B6R0.4 CNCCC(C)O P38146 [0,1,0,0,0,0|2,0,0]=3 41 B6R0.6 BrCCNCCBr M15186 [0,1,0,0,0,0|3,0,0]=4 42 B6R0.6 C#CCCCCI P39398 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.6 C#CCCCCN O31570 [0,1,0,0,0,0|2,0,1]=4 44 B6R0.6 C#CCCCNC L19187 [0,1,0,0,0,0|2,0,1]=4 45 B6R0.6 CNCCCCN L19491 [0,1,0,0,0,0|2,0,0]=3 46 B6R0.6 CNCCCOC P37437 [0,1,0,0,0,0|1,1,0]=3 47 B6R0.6 COCCCCN O29739 [0,1,0,0,0,0|1,1,0]=3 48 B6R0.6 NCCOCCN P39125 [0,1,0,0,0,0|2,1,0]=4 49 B6R0.6 OCCOCCBr P37296 [0,1,0,0,0,0|2,1,0]=4 50 B6R0.6 OCCOCCI P41754 [0,1,0,0,0,0|2,1,0]=4 51 B6R0.6 [N-]=[N+]=NCCCN M23188 [0,1,0,0,0,0|3,0,0]=4 52 B6R0.6 [N-]=[N+]=NCCCO Q66001 [0,1,0,0,0,0|3,0,0]=4 53 B6R1.1 C1=CCNCC1 C-2421 [0,0,0,1,0,0|3,0,0]=4 54 B6R1.1 C1=CCOCC1 G-7030 [0,0,0,1,0,0|3,0,0]=4 55 B6R1.2 BrC1CCOC1 C-3309 [0,0,0,1,0,0|2,1,0]=4 56 B6R1.2 CC1CCCN1 Q61737 [0,0,0,1,0,0|2,0,0]=3 57 B6R1.2 CC1CCNC1 M22664 [0,0,0,1,0,0|2,0,0]=3 58 B6R1.2 CN1CC=CC1 Q61507 [0,0,0,1,0,0|3,0,0]=4 59 B6R1.2 C[C@@H]1CCCN1 L14631 [0,0,0,1,0,0|2,0,0]=3 60 B6R1.2 C[C@@H]1CCNC1 L13628 [0,0,0,1,0,0|2,0,0]=3 61 B6R1.2 C[C@H]1CCNC1 L14084 [0,0,0,1,0,0|2,0,0]=3 62 B6R1.2 ClC1CCNC1 P42791 [0,0,0,1,0,0|3,0,0]=4 63 B6R1.2 FC1CCNC1 A-349 [0,0,0,1,0,0|3,0,0]=4 64 B6R1.2 FC1CCNC1 C-2208 [0,0,0,1,0,0|3,0,0]=4 65 B6R1.2 FC1CCNC1 P51370 [0,0,0,1,0,0|3,0,0]=4 66 B6R1.2 F[C@@H]1CCNC1 O33274 [0,0,0,1,0,0|3,0,0]=4 67 B6R1.2 F[C@H]1CCNC1 A-348 [0,0,0,1,0,0|3,0,0]=4 68 B6R1.2 F[C@H]1CCNC1 L22005 [0,0,0,1,0,0|3,0,0]=4 69 B6R1.2 IC1CCCC1 I-9679 [0,0,0,1,0,0|3,0,0]=4 70 B6R1.2 IC1CCOC1 C-3308 [0,0,0,1,0,0|2,1,0]=4 71 B6R1.2 I[C@@H]1CCOC1 G-5348 [0,0,0,1,0,0|2,1,0]=4 72 B6R1.2 I[C@H]1CCOC1 G-5349 [0,0,0,1,0,0|2,1,0]=4 73 B6R1.2 NC1CC=CC1 F-4367 [0,0,0,1,0,0|3,0,0]=4 74 B6R1.2 NC1CC=CC1 Q57040 [0,0,0,1,0,0|3,0,0]=4 75 B6R1.2 NC1CCOC1 B-1171 [0,0,0,1,0,0|2,1,0]=4 76 B6R1.2 NC1CCOC1 P39935 [0,0,0,1,0,0|2,1,0]=4 77 B6R1.2 NN1CCCC1 M23462 [0,0,0,1,0,0|3,0,0]=4 78 B6R1.2 N[C@@H]1CCOC1 F-4072 [0,0,0,1,0,0|2,1,0]=4 79 B6R1.2 N[C@@H]1CCOC1 G-5144 [0,0,0,1,0,0|2,1,0]=4 80 B6R1.2 N[C@H]1CCOC1 F-4071 [0,0,0,1,0,0|2,1,0]=4 81 B6R1.2 N[C@H]1CCOC1 G-5145 [0,0,0,1,0,0|2,1,0]=4 82 B6R1.2 O=C1CCSC1 G-7753 [0,0,0,1,0,0|2,0,1]=4 83 B6R1.2 OC1CCNC1 G-5959 [0,0,0,1,0,0|3,0,0]=4 84 B6R1.2 OC1CCNC1 I-9548 [0,0,0,1,0,0|3,0,0]=4 85 B6R1.2 OC1CCOC1 C-3328 [0,0,0,1,0,0|2,1,0]=4 86 B6R1.2 O[C@@H]1CCOC1 G-5347 [0,0,0,1,0,0|2,1,0]=4 87 B6R1.2 O[C@H]1CCOC1 G-6766 [0,0,0,1,0,0|2,1,0]=4 88 B6R1.3 BrCCC1CC1 O33551 [0,0,0,1,0,0|3,0,0]=4 89 B6R1.3 BrCC[C@H]1CO1 P51572 [0,0,0,1,0,0|2,1,0]=4 90 B6R1.3 CCNC1CC1 P36705 [0,0,0,1,0,0|2,0,0]=3 91 B6R1.3 CNCC1CC1 L13551 [0,0,0,1,0,0|2,0,0]=3 92 B6R1.3 ICCC1CC1 I-9916 [0,0,0,1,0,0|3,0,0]=4 93 B6R1.3 N#CCC1CC1 O33326 [0,0,0,1,0,0|3,0,0]=4 94 B6R1.3 NCCC1CC1 G-5988 [0,0,0,1,0,0|3,0,0]=4 95 B6R1.3 NCCN1CC1 P45652 [0,0,0,1,0,0|3,0,0]=4 96 B6R1.3 NNCC1CC1 H-8575 [0,0,0,1,0,0|3,0,0]=4 97 B6R1.3 NNCC1CC1 I-9542 [0,0,0,1,0,0|3,0,0]=4 98 B6R1.3 NNCC1CC1 K12084 [0,0,0,1,0,0|3,0,0]=4 99 B6R1.3 NNCC1CC1 L13728 [0,0,0,1,0,0|3,0,0]=4 100 B6R1.3 OCCC1CC1 G-5984 [0,0,0,1,0,0|3,0,0]=4 101 B6R1.4 CC1CCC1=O P47956 [0,0,0,1,0,0|3,0,0]=4 102 B6R1.4 CC1CCC1N P44937 [0,0,0,1,0,0|3,0,0]=4 103 B6R1.4 CC1CCC1N P47065 [0,0,0,1,0,0|3,0,0]=4 104 B6R1.4 CC1CCC1O L20058 [0,0,0,1,0,0|3,0,0]=4 105 B6R1.4 CC1CNC1C P45190 [0,0,0,1,0,0|2,0,0]=3 106 B6R1.4 CC1CNC1C P46961 [0,0,0,1,0,0|2,0,0]=3 107 B6R1.4 CC1NCC1F P47439 [0,0,0,1,0,0|3,0,0]=4 108 B6R1.4 CC1NCC1F P47451 [0,0,0,1,0,0|3,0,0]=4 109 B6R1.4 CC1NCC1O P44849 [0,0,0,1,0,0|3,0,0]=4 110 B6R1.4 CC1NCC1O P44851 [0,0,0,1,0,0|3,0,0]=4 111 B6R1.4 CC1OCC1Br Q56171 [0,0,0,1,0,0|2,1,0]=4 112 B6R1.4 CC1OCC1I Q56172 [0,0,0,1,0,0|2,1,0]=4 113 B6R1.4 CC1OCC1N Q56170 [0,0,0,1,0,0|2,1,0]=4 114 B6R1.4 CC1OCC1O L18037 [0,0,0,1,0,0|2,1,0]=4 115 B6R1.4 C[C@@H]1NCC1F P50109 [0,0,0,1,0,0|3,0,0]=4 116 B6R1.4 C[C@@H]1NCC1O P47321 [0,0,0,1,0,0|3,0,0]=4 117 B6R1.4 C[C@@H]1NC[C@@H]1F P50877 [0,0,0,1,0,0|3,0,0]=4 118 B6R1.4 C[C@@H]1NC[C@@H]1F P50878 [0,0,0,1,0,0|3,0,0]=4 119 B6R1.4 C[C@@H]1NC[C@@H]1O P46638 [0,0,0,1,0,0|3,0,0]=4 120 B6R1.4 C[C@@H]1NC[C@@H]1O P48644 [0,0,0,1,0,0|3,0,0]=4 121 B6R1.4 C[C@@H]1NC[C@@H]1O P48652 [0,0,0,1,0,0|3,0,0]=4 122 B6R1.4 C[C@@H]1NC[C@@H]1O P50879 [0,0,0,1,0,0|3,0,0]=4 123 B6R1.4 C[C@@H]1NC[C@H]1F P50880 [0,0,0,1,0,0|3,0,0]=4 124 B6R1.4 C[C@@H]1NC[C@H]1F P50881 [0,0,0,1,0,0|3,0,0]=4 125 B6R1.4 C[C@@H]1NC[C@H]1O P46945 [0,0,0,1,0,0|3,0,0]=4 126 B6R1.4 C[C@@H]1NC[C@H]1O P48643 [0,0,0,1,0,0|3,0,0]=4 127 B6R1.4 C[C@@H]1NC[C@H]1O P48651 [0,0,0,1,0,0|3,0,0]=4 128 B6R1.4 C[C@@H]1OC[C@H]1O Q56119 [0,0,0,1,0,0|2,1,0]=4 129 B6R1.4 C[C@H]1NCC1F P50084 [0,0,0,1,0,0|3,0,0]=4 130 B6R1.4 C[C@H]1NCC1O P50087 [0,0,0,1,0,0|3,0,0]=4 131 B6R1.4 C[C@H]1NC[C@@H]1F P50079 [0,0,0,1,0,0|3,0,0]=4 132 B6R1.4 C[C@H]1NC[C@@H]1O P50080 [0,0,0,1,0,0|3,0,0]=4 133 B6R1.4 C[C@H]1NC[C@H]1F P50081 [0,0,0,1,0,0|3,0,0]=4 134 B6R1.4 C[C@H]1NC[C@H]1O P50082 [0,0,0,1,0,0|3,0,0]=4 135 B6R1.4 C[C@H]1NC[C@H]1O P50119 [0,0,0,1,0,0|3,0,0]=4 136 B6R1.4 C[C@H]1OC[C@H]1O Q56118 [0,0,0,1,0,0|2,1,0]=4 137 B6R1.6 BrCC1CCO1 F-4066 [0,0,0,1,0,0|2,1,0]=4 138 B6R1.6 BrCC1CNC1 P50070 [0,0,0,1,0,0|3,0,0]=4 139 B6R1.6 BrCC1COC1 L21563 [0,0,0,1,0,0|2,1,0]=4 140 B6R1.6 C#CC1CCC1 P45543 [0,0,0,1,0,0|2,0,1]=4 141 B6R1.6 CCC1CCN1 P47056 [0,0,0,1,0,0|2,0,0]=3 142 B6R1.6 CCC1CCN1 P48764 [0,0,0,1,0,0|2,0,0]=3 143 B6R1.6 CCC1CNC1 P45196 [0,0,0,1,0,0|2,0,0]=3 144 B6R1.6 CCC1CNC1 P47098 [0,0,0,1,0,0|2,0,0]=3 145 B6R1.6 CNC1CCC1 O34360 [0,0,0,1,0,0|2,0,0]=3 146 B6R1.6 CNC1CCC1 P45733 [0,0,0,1,0,0|2,0,0]=3 147 B6R1.6 CNC1CNC1 M22665 [0,0,0,1,0,0|3,0,0]=4 148 B6R1.6 CNC1CNC1 P45899 [0,0,0,1,0,0|3,0,0]=4 149 B6R1.6 CNC1COC1 C-2465 [0,0,0,1,0,0|2,1,0]=4 150 B6R1.6 COC1CNC1 D-2560 [0,0,0,1,0,0|2,1,0]=4 151 B6R1.6 COC1CNC1 P44584 [0,0,0,1,0,0|2,1,0]=4 152 B6R1.6 CSC1CNC1 C-2301 [0,0,0,1,0,0|2,0,0]=3 153 B6R1.6 CSC1CNC1 L13623 [0,0,0,1,0,0|2,0,0]=3 154 B6R1.6 ClCC1CCC1 M23070 [0,0,0,1,0,0|3,0,0]=4 155 B6R1.6 ClCC1CNC1 P50271 [0,0,0,1,0,0|3,0,0]=4 156 B6R1.6 ClCC1COC1 P45001 [0,0,0,1,0,0|2,1,0]=4 157 B6R1.6 FCC1CCN1 P47490 [0,0,0,1,0,0|3,0,0]=4 158 B6R1.6 FCC1CNC1 O32400 [0,0,0,1,0,0|3,0,0]=4 159 B6R1.6 FCC1CNC1 O32401 [0,0,0,1,0,0|3,0,0]=4 160 B6R1.6 FC[C@@H]1CCN1 P45171 [0,0,0,1,0,0|3,0,0]=4 161 B6R1.6 FC[C@H]1CCN1 P47579 [0,0,0,1,0,0|3,0,0]=4 162 B6R1.6 ICC1CCC1 H-8778 [0,0,0,1,0,0|3,0,0]=4 163 B6R1.6 ICC1CCO1 G-7249 [0,0,0,1,0,0|2,1,0]=4 164 B6R1.6 ICC1COC1 G-5215 [0,0,0,1,0,0|2,1,0]=4 165 B6R1.6 N#CC1CCC1 G-7033 [0,0,0,1,0,0|3,0,0]=4 166 B6R1.6 N#CC1CSC1 Q64307 [0,0,0,1,0,0|2,0,1]=4 167 B6R1.6 NCC1CCC1 C-2308 [0,0,0,1,0,0|3,0,0]=4 168 B6R1.6 NCC1CCC1 L13986 [0,0,0,1,0,0|3,0,0]=4 169 B6R1.6 NCC1CCN1 G-5892 [0,0,0,1,0,0|3,0,0]=4 170 B6R1.6 NCC1CCN1 P49927 [0,0,0,1,0,0|3,0,0]=4 171 B6R1.6 NCC1CCO1 F-4044 [0,0,0,1,0,0|2,1,0]=4 172 B6R1.6 NCC1CCS1 Q58811 [0,0,0,1,0,0|2,0,0]=3 173 B6R1.6 NCC1CNC1 P39611 [0,0,0,1,0,0|3,0,0]=4 174 B6R1.6 NCC1CNC1 P49682 [0,0,0,1,0,0|3,0,0]=4 175 B6R1.6 NCC1COC1 C-2244 [0,0,0,1,0,0|2,1,0]=4 176 B6R1.6 NCC1COC1 L21567 [0,0,0,1,0,0|2,1,0]=4 177 B6R1.6 NCC1CSC1 G-7410 [0,0,0,1,0,0|2,0,0]=3 178 B6R1.6 NCC1CSC1 H-8020 [0,0,0,1,0,0|2,0,0]=3 179 B6R1.6 NC[C@@H]1CCO1 Q56226 [0,0,0,1,0,0|2,1,0]=4 180 B6R1.6 NC[C@H]1CCO1 Q64388 [0,0,0,1,0,0|2,1,0]=4 181 B6R1.6 NNC1CCC1 O30528 [0,0,0,1,0,0|3,0,0]=4 182 B6R1.6 NNC1CCC1 O31125 [0,0,0,1,0,0|3,0,0]=4 183 B6R1.6 NNC1CCC1 P44553 [0,0,0,1,0,0|3,0,0]=4 184 B6R1.6 NNC1CSC1 O30925 [0,0,0,1,0,0|3,0,0]=4 185 B6R1.6 NNC1CSC1 Q59094 [0,0,0,1,0,0|3,0,0]=4 186 B6R1.6 OCC1CCN1 G-7151 [0,0,0,1,0,0|3,0,0]=4 187 B6R1.6 OCC1CCO1 F-4043 [0,0,0,1,0,0|2,1,0]=4 188 B6R1.6 OCC1CNC1 A-421 [0,0,0,1,0,0|3,0,0]=4 189 B6R1.6 OCC1CNC1 L14018 [0,0,0,1,0,0|3,0,0]=4 190 B6R1.6 OCC1COC1 C-2291 [0,0,0,1,0,0|2,1,0]=4 191 B6R1.6 OCC1CSC1 H-8021 [0,0,0,1,0,0|2,0,0]=3 192 B6R1.6 OC[C@@H]1CCN1 B-1106 [0,0,0,1,0,0|3,0,0]=4 193 B6R1.6 OC[C@@H]1CCN1 P36030 [0,0,0,1,0,0|3,0,0]=4 194 B6R1.6 OC[C@@H]1CCO1 Q56225 [0,0,0,1,0,0|2,1,0]=4 195 B6R1.6 OC[C@H]1CCN1 B-1105 [0,0,0,1,0,0|3,0,0]=4 196 B6R1.6 OC[C@H]1CCN1 P35007 [0,0,0,1,0,0|3,0,0]=4 197 B6R1.6 OC[C@H]1CCO1 Q53294 [0,0,0,1,0,0|2,1,0]=4 198 B6R1.6 ON=C1CCC1 P45801 [0,0,0,1,0,0|3,0,0]=4 199 B6R1.6 SCC1CNC1 P46721 [0,0,0,1,0,0|3,0,0]=4 200 B6R1.8 C[C@H]1C[C@H]1CO P43750 [0,0,0,1,0,0|3,0,0]=4 201 B3R0.1 CCNN H-8579 [2,0,0,0,0,0|2,0,0]=4 202 B3R0.1 CCNN O31940 [2,0,0,0,0,0|2,0,0]=4 203 B5R0.1 CC(N)CCO P39048 [1,1,0,0,0,0|1,1,0]=4 204 B5R0.1 CC(O)CCN M22972 [1,1,0,0,0,0|2,0,0]=4 205 B5R0.1 CC(O)CON M15150 [1,1,0,0,0,0|1,1,0]=4 206 B5R0.1 CCC[C@H](C)N I-9318 [1,1,0,0,0,0|1,0,0]=3 207 B5R0.1 CNCC(C)O P40721 [1,1,0,0,0,0|1,0,0]=3 208 B5R0.1 CNCC(F)F P41399 [1,1,0,0,0,0|2,0,0]=4 209 B5R0.1 CNC[C@@H](C)O P41738 [1,1,0,0,0,0|1,0,0]=3 210 B5R0.1 CNC[C@H](C)O P36531 [1,1,0,0,0,0|1,0,0]=3 211 B5R0.1 COCC(C)Br O32164 [1,1,0,0,0,0|0,1,0]=3 212 B5R0.1 C[C@@H](N)CCO F-4752 [1,1,0,0,0,0|1,1,0]=4 213 B5R0.1 C[C@H](N)CC#N Q66038 [1,1,0,0,0,0|2,0,0]=4 214 B5R0.1 C[C@H](N)CCO F-4570 [1,1,0,0,0,0|1,1,0]=4 215 B5R0.3 C#CC(O)CC P38163 [1,1,0,0,0,0|1,0,1]=4 216 B5R0.3 CCC(C)NN O30637 [1,1,0,0,0,0|2,0,0]=4 217 B5R0.3 CNC(C)CO M23268 [1,1,0,0,0,0|2,0,0]=4 218 B5R0.3 CN[C@@H](C)CO P38191 [1,1,0,0,0,0|2,0,0]=4 219 B5R0.3 CN[C@H](C)CO P41018 [1,1,0,0,0,0|2,0,0]=4 220 B5R0.3 COC(C)CN P36510 [1,1,0,0,0,0|1,1,0]=4 221 B7R0.2 CC[C@H](N)CN(C)C Q66181 [0,2,0,0,0,0|2,0,0]=4 222 B7R0.2 COC(=O)CC(C)N P41489 [0,2,0,0,0,0|1,1,0]=4 223 B7R0.2 COC(=O)C[C@@H](C)N Q68958 [0,2,0,0,0,0|1,1,0]=4 224 B7R0.3 CCCC[C@@H](N)CO P35979 [0,2,0,0,0,0|2,0,0]=4 225 B7R0.3 CCCC[C@H](N)CO P35978 [0,2,0,0,0,0|2,0,0]=4 226 B7R0.3 CCCNC(=O)CN P36648 [0,2,0,0,0,0|2,0,0]=4 227 B7R0.3 CCOCC(O)CN L19068 [0,2,0,0,0,0|1,1,0]=4 228 B7R0.3 CNC(=O)CCCN P40550 [0,2,0,0,0,0|2,0,0]=4 229 B7R0.3 CNCCC(=O)NC P37767 [0,2,0,0,0,0|2,0,0]=4 230 B7R0.3 CNCCC(=O)OC P36826 [0,2,0,0,0,0|1,1,0]=4 231 B7R0.3 CSCCC(N)CO P37819 [0,2,0,0,0,0|1,0,0]=3 232 B7R0.5 CCCC(C)C(C)N L19280 [0,2,0,0,0,0|2,0,0]=4 233 B7R0.7 CCCN(C)CCO Q66069 [0,2,0,0,0,0|2,0,0]=4 234 B7R0.4 CC(=O)NCCCN P38199 [0,2,0,0,0,0|2,0,0]=4 235 B7R0.4 CNCCNC(C)=O P41559 [0,2,0,0,0,0|2,0,0]=4 236 B7R0.6 CC(=O)OCC(C)O P36972 [0,2,0,0,0,0|1,1,0]=4 237 B7R0.8 CNCCC(C)(C)O M22918 [0,2,0,0,0,0|2,0,0]=4 238 B7R0.1 BrCCSSCCBr Q69404 [0,2,0,0,0,0|1,0,0]=3 239 B7R0.1 CCCCNCC#N P38905 [0,2,0,0,0,0|2,0,0]=4 240 B7R0.1 CCCCOCCN P36925 [0,2,0,0,0,0|1,1,0]=4 241 B7R0.1 COCCOCCN P38878 [0,2,0,0,0,0|1,1,0]=4 242 B7R0.1 NCCCOCCO P34738 [0,2,0,0,0,0|1,1,0]=4 243 B5R1.1 C1CSCO1 P51538 [1,0,0,1,0,0|1,0,0]=3 244 B5R1.2 BrC1CNC1 D-2507 [1,0,0,1,0,0|2,0,0]=4 245 B5R1.2 BrC1CNC1 P39525 [1,0,0,1,0,0|2,0,0]=4 246 B5R1.2 BrC1COC1 C-2448 [1,0,0,1,0,0|1,1,0]=4 247 B5R1.2 C=C1CCC1 P49771 [1,0,0,1,0,0|1,0,1]=4 248 B5R1.2 CC1CCN1 M22690 [1,0,0,1,0,0|2,0,0]=4 249 B5R1.2 CC1CCN1 P44577 [1,0,0,1,0,0|2,0,0]=4 250 B5R1.2 CC1CCO1 Q53239 [1,0,0,1,0,0|1,1,0]=4 251 B5R1.2 CC1CNC1 C-2879 [1,0,0,1,0,0|1,0,0]=3 252 B5R1.2 C[C@@H]1CCN1 P45172 [1,0,0,1,0,0|2,0,0]=4 253 B5R1.2 C[C@@H]1CCO1 Q53238 [1,0,0,1,0,0|1,1,0]=4 254 B5R1.2 C[C@H]1CCN1 P44797 [1,0,0,1,0,0|2,0,0]=4 255 B5R1.2 C[C@H]1CCO1 Q53237 [1,0,0,1,0,0|1,1,0]=4 256 B5R1.2 ClC1CNC1 G-7722 [1,0,0,1,0,0|2,0,0]=4 257 B5R1.2 ClC1COC1 L21610 [1,0,0,1,0,0|1,1,0]=4 258 B5R1.2 FC1CNC1 A-433 [1,0,0,1,0,0|2,0,0]=4 259 B5R1.2 FC1CNC1 P45315 [1,0,0,1,0,0|2,0,0]=4 260 B5R1.2 IC1CCC1 L21363 [1,0,0,1,0,0|2,0,0]=4 261 B5R1.2 IC1CNC1 F-4497 [1,0,0,1,0,0|2,0,0]=4 262 B5R1.2 IC1COC1 C-2449 [1,0,0,1,0,0|1,1,0]=4 263 B5R1.2 NC1CCC1 P45382 [1,0,0,1,0,0|2,0,0]=4 264 B5R1.2 NC1CNC1 L13523 [1,0,0,1,0,0|2,0,0]=4 265 B5R1.2 NC1COC1 C-2472 [1,0,0,1,0,0|1,1,0]=4 266 B5R1.2 NC1COC1 O31926 [1,0,0,1,0,0|1,1,0]=4 267 B5R1.2 NC1CSC1 G-6637 [1,0,0,1,0,0|1,0,0]=3 268 B5R1.2 NC1CSC1 Q58806 [1,0,0,1,0,0|1,0,0]=3 269 B5R1.2 NC1CSC1 S72763 [1,0,0,1,0,0|1,0,0]=3 270 B5R1.2 O=C1CSC1 A-895 [1,0,0,1,0,0|1,0,1]=4 271 B5R1.2 OC1CNC1 A-407 [1,0,0,1,0,0|2,0,0]=4 272 B5R1.2 OC1CNC1 O28030 [1,0,0,1,0,0|2,0,0]=4 273 B5R1.2 OC1COC1 B-1102 [1,0,0,1,0,0|1,1,0]=4 274 B5R1.2 OC1CSC1 L21497 [1,0,0,1,0,0|1,0,0]=3 275 B5R1.2 SC1CNC1 G-7240 [1,0,0,1,0,0|2,0,0]=4 276 B5R1.2 SC1COC1 G-6845 [1,0,0,1,0,0|1,1,0]=4 277 B5R1.3 CNC1CC1 G-6453 [1,0,0,1,0,0|1,0,0]=3 278 B5R1.3 ClCC1CS1 H-8564 [1,0,0,1,0,0|1,0,0]=3 279 B5R1.3 ICC1CC1 P38738 [1,0,0,1,0,0|2,0,0]=4 280 B5R1.3 NNC1CC1 H-8725 [1,0,0,1,0,0|2,0,0]=4 281 B5R1.3 NNC1CC1 O31496 [1,0,0,1,0,0|2,0,0]=4 282 B5R1.3 SCC1CC1 F-4776 [1,0,0,1,0,0|1,0,0]=3 283 B7R1.1 BrCC1=CCCC1 G-5335 [0,1,0,1,0,0|2,0,0]=4 284 B7R1.1 BrCC1CCOC1 C-3388 [0,1,0,1,0,0|1,1,0]=4 285 B7R1.1 CC[C@@H]1CCNC1 L14526 [0,1,0,1,0,0|2,0,0]=4 286 B7R1.1 CC[C@H]1CCNC1 L14527 [0,1,0,1,0,0|2,0,0]=4 287 B7R1.1 CNC1CCCC1 P36274 [0,1,0,1,0,0|2,0,0]=4 288 B7R1.1 CNC1CCNC1 P41664 [0,1,0,1,0,0|2,0,0]=4 289 B7R1.1 CNC1CCOC1 I-9659 [0,1,0,1,0,0|1,1,0]=4 290 B7R1.1 CN[C@@H]1CCNC1 P41422 [0,1,0,1,0,0|2,0,0]=4 291 B7R1.1 CN[C@@H]1CCOC1 L13930 [0,1,0,1,0,0|1,1,0]=4 292 B7R1.1 CN[C@H]1CCNC1 P41423 [0,1,0,1,0,0|2,0,0]=4 293 B7R1.1 CN[C@H]1CCOC1 L13929 [0,1,0,1,0,0|1,1,0]=4 294 B7R1.1 COC1CCNC1 C-2248 [0,1,0,1,0,0|1,1,0]=4 295 B7R1.1 CO[C@@H]1CCNC1 C-2249 [0,1,0,1,0,0|1,1,0]=4 296 B7R1.1 CO[C@H]1CCNC1 C-2250 [0,1,0,1,0,0|1,1,0]=4 297 B7R1.1 CSC1CCNC1 L20011 [0,1,0,1,0,0|1,0,0]=3 298 B7R1.1 CS[C@@H]1CCNC1 Q52106 [0,1,0,1,0,0|1,0,0]=3 299 B7R1.1 CS[C@H]1CCNC1 Q52105 [0,1,0,1,0,0|1,0,0]=3 300 B7R1.1 FCC1CCCN1 Q52409 [0,1,0,1,0,0|2,0,0]=4 301 B7R1.1 FCC1CCNC1 L20341 [0,1,0,1,0,0|2,0,0]=4 302 B7R1.1 FC[C@@H]1CCCN1 G-5688 [0,1,0,1,0,0|2,0,0]=4 303 B7R1.1 FC[C@@H]1CCCN1 Q61799 [0,1,0,1,0,0|2,0,0]=4 304 B7R1.1 FC[C@@H]1CCNC1 P48130 [0,1,0,1,0,0|2,0,0]=4 305 B7R1.1 FC[C@@H]1CCNC1 Q61807 [0,1,0,1,0,0|2,0,0]=4 306 B7R1.1 FC[C@H]1CCCN1 I-9901 [0,1,0,1,0,0|2,0,0]=4 307 B7R1.1 FC[C@H]1CCCN1 Q51944 [0,1,0,1,0,0|2,0,0]=4 308 B7R1.1 FC[C@H]1CCNC1 P50376 [0,1,0,1,0,0|2,0,0]=4 309 B7R1.1 FC[C@H]1CCNC1 Q61806 [0,1,0,1,0,0|2,0,0]=4 310 B7R1.1 ICC1CCCC1 P39098 [0,1,0,1,0,0|2,0,0]=4 311 B7R1.1 ICC1CCOC1 I-9304 [0,1,0,1,0,0|1,1,0]=4 312 B7R1.1 NCC1CCCC1 F-4714 [0,1,0,1,0,0|2,0,0]=4 313 B7R1.1 NCC1CCCC1 L14012 [0,1,0,1,0,0|2,0,0]=4 314 B7R1.1 NCC1CCCN1 P37060 [0,1,0,1,0,0|2,0,0]=4 315 B7R1.1 NCC1CCOC1 C-3659 [0,1,0,1,0,0|1,1,0]=4 316 B7R1.1 NCC1CCOC1 G-6767 [0,1,0,1,0,0|1,1,0]=4 317 B7R1.1 NC[C@@H]1CCCN1 G-5891 [0,1,0,1,0,0|2,0,0]=4 318 B7R1.1 NC[C@@H]1CCOC1 C-2790 [0,1,0,1,0,0|1,1,0]=4 319 B7R1.1 NC[C@@H]1CCOC1 G-5015 [0,1,0,1,0,0|1,1,0]=4 320 B7R1.1 NC[C@H]1CCCN1 P42386 [0,1,0,1,0,0|2,0,0]=4 321 B7R1.1 NC[C@H]1CCNC1 Q55433 [0,1,0,1,0,0|2,0,0]=4 322 B7R1.1 NC[C@H]1CCOC1 C-2789 [0,1,0,1,0,0|1,1,0]=4 323 B7R1.1 NC[C@H]1CCOC1 G-5014 [0,1,0,1,0,0|1,1,0]=4 324 B7R1.1 OCC1CC=CC1 G-6600 [0,1,0,1,0,0|2,0,0]=4 325 B7R1.1 OCC1CCNC1 C-2924 [0,1,0,1,0,0|2,0,0]=4 326 B7R1.1 OCC1CCNC1 L13610 [0,1,0,1,0,0|2,0,0]=4 327 B7R1.1 OCC1CCOC1 C-3387 [0,1,0,1,0,0|1,1,0]=4 328 B7R1.1 OC[C@@H]1CCCO1 O32723 [0,1,0,1,0,0|1,1,0]=4 329 B7R1.1 OC[C@@H]1CCNC1 G-6083 [0,1,0,1,0,0|2,0,0]=4 330 B7R1.1 OC[C@@H]1CCNC1 L13662 [0,1,0,1,0,0|2,0,0]=4 331 B7R1.1 OC[C@@H]1CCOC1 C-2787 [0,1,0,1,0,0|1,1,0]=4 332 B7R1.1 OC[C@H]1CCNC1 G-6082 [0,1,0,1,0,0|2,0,0]=4 333 B7R1.1 OC[C@H]1CCNC1 L14041 [0,1,0,1,0,0|2,0,0]=4 334 B7R1.1 OC[C@H]1CCOC1 C-2788 [0,1,0,1,0,0|1,1,0]=4 335 B7R1.2 CC1=NC(C)CO1 M15289 [0,1,0,1,0,0|1,1,0]=4 336 B7R1.2 CC1CC(O)CN1 Q59204 [0,1,0,1,0,0|2,0,0]=4 337 B7R1.2 CC1CC(O)CN1 Q59205 [0,1,0,1,0,0|2,0,0]=4 338 B7R1.2 CC1CCC(N)C1 Q56970 [0,1,0,1,0,0|2,0,0]=4 339 B7R1.2 CC1CNC(=O)C1 L13710 [0,1,0,1,0,0|2,0,0]=4 340 B7R1.2 CN1CCC(Br)C1 Q53645 [0,1,0,1,0,0|2,0,0]=4 341 B7R1.2 CN1CCC(N)C1 C-2205 [0,1,0,1,0,0|2,0,0]=4 342 B7R1.2 CN1CCC(N)C1 O28463 [0,1,0,1,0,0|2,0,0]=4 343 B7R1.2 CN1CCC(O)C1 C-3294 [0,1,0,1,0,0|2,0,0]=4 344 B7R1.2 CN1CC[C@@H](N)C1 C-2206 [0,1,0,1,0,0|2,0,0]=4 345 B7R1.2 CN1CC[C@@H](N)C1 Q66155 [0,1,0,1,0,0|2,0,0]=4 346 B7R1.2 CN1CC[C@@H](O)C1 C-3296 [0,1,0,1,0,0|2,0,0]=4 347 B7R1.2 CN1CC[C@H](N)C1 C-2207 [0,1,0,1,0,0|2,0,0]=4 348 B7R1.2 CN1CC[C@H](N)C1 P35579 [0,1,0,1,0,0|2,0,0]=4 349 B7R1.2 CN1CC[C@H](N)C1 Q51811 [0,1,0,1,0,0|2,0,0]=4 350 B7R1.2 CN1CC[C@H](O)C1 C-3295 [0,1,0,1,0,0|2,0,0]=4 351 B7R1.2 C[C@@H]1CC[C@@H](C)N1 O32970 [0,1,0,1,0,0|2,0,0]=4 352 B7R1.2 C[C@@H]1CC[C@@H](C)N1 Q61707 [0,1,0,1,0,0|2,0,0]=4 353 B7R1.2 C[C@@H]1CC[C@@H](C)N1 Q61742 [0,1,0,1,0,0|2,0,0]=4 354 B7R1.2 C[C@@H]1CNC(=O)C1 L22301 [0,1,0,1,0,0|2,0,0]=4 355 B7R1.2 C[C@@H]1CN[C@@H](C)C1 Q61627 [0,1,0,1,0,0|2,0,0]=4 356 B7R1.2 C[C@@H]1C[C@@H](O)CN1 Q56025 [0,1,0,1,0,0|2,0,0]=4 357 B7R1.2 C[C@@H]1C[C@H](F)CN1 Q54433 [0,1,0,1,0,0|2,0,0]=4 358 B7R1.2 C[C@@H]1C[C@H](O)CN1 L14502 [0,1,0,1,0,0|2,0,0]=4 359 B7R1.2 C[C@H]1CC[C@@H](C)N1 O32965 [0,1,0,1,0,0|2,0,0]=4 360 B7R1.2 C[C@H]1CC[C@@H](C)N1 Q61708 [0,1,0,1,0,0|2,0,0]=4 361 B7R1.2 C[C@H]1CNC(=O)C1 L18264 [0,1,0,1,0,0|2,0,0]=4 362 B7R1.2 C[C@H]1C[C@@H](O)CN1 Q56026 [0,1,0,1,0,0|2,0,0]=4 363 B7R1.2 C[C@H]1C[C@H](O)CN1 L13861 [0,1,0,1,0,0|2,0,0]=4 364 B7R1.3 BrC1=CCCCC1 N24288 [0,1,0,1,0,0|2,0,0]=4 365 B7R1.3 BrC1C=CCCC1 P44668 [0,1,0,1,0,0|2,0,0]=4 366 B7R1.3 BrC1CCCNC1 H-8368 [0,1,0,1,0,0|2,0,0]=4 367 B7R1.3 BrC1CCCOC1 O33555 [0,1,0,1,0,0|1,1,0]=4 368 B7R1.3 BrC1CCOCC1 C-3420 [0,1,0,1,0,0|1,1,0]=4 369 B7R1.3 CC1=CCCNC1 I-9121 [0,1,0,1,0,0|2,0,0]=4 370 B7R1.3 CC1=CCNCC1 I-9119 [0,1,0,1,0,0|2,0,0]=4 371 B7R1.3 CC1CNCCO1 B-1061 [0,1,0,1,0,0|1,1,0]=4 372 B7R1.3 CC1CNCCO1 B-1061-1 [0,1,0,1,0,0|1,1,0]=4 373 B7R1.3 CC1COCCN1 B-1060 [0,1,0,1,0,0|1,1,0]=4 374 B7R1.3 CC1COCCN1 O28936 [0,1,0,1,0,0|1,1,0]=4 375 B7R1.3 C[C@@H]1CCCCN1 P40572 [0,1,0,1,0,0|2,0,0]=4 376 B7R1.3 C[C@@H]1CCCNC1 Q55825 [0,1,0,1,0,0|2,0,0]=4 377 B7R1.3 C[C@@H]1CNCCO1 B-1063 [0,1,0,1,0,0|1,1,0]=4 378 B7R1.3 C[C@@H]1CNCCO1 B-1063-1 [0,1,0,1,0,0|1,1,0]=4 379 B7R1.3 C[C@@H]1COCCN1 B-1058 [0,1,0,1,0,0|1,1,0]=4 380 B7R1.3 C[C@@H]1COCCN1 P34848 [0,1,0,1,0,0|1,1,0]=4 381 B7R1.3 C[C@H]1CCCCN1 P38855 [0,1,0,1,0,0|2,0,0]=4 382 B7R1.3 C[C@H]1CCCCN1 Q54716 [0,1,0,1,0,0|2,0,0]=4 383 B7R1.3 C[C@H]1CCCNC1 Q55824 [0,1,0,1,0,0|2,0,0]=4 384 B7R1.3 C[C@H]1CNCCO1 B-1062 [0,1,0,1,0,0|1,1,0]=4 385 B7R1.3 C[C@H]1CNCCO1 B-1062-1 [0,1,0,1,0,0|1,1,0]=4 386 B7R1.3 C[C@H]1COCCN1 B-1059 [0,1,0,1,0,0|1,1,0]=4 387 B7R1.3 C[C@H]1COCCN1 P42980 [0,1,0,1,0,0|1,1,0]=4 388 B7R1.3 ClC1CCCOC1 Q57646 [0,1,0,1,0,0|1,1,0]=4 389 B7R1.3 FC1CCCNC1 C-2254 [0,1,0,1,0,0|2,0,0]=4 390 B7R1.3 F[C@@H]1CCCNC1 G-5231 [0,1,0,1,0,0|2,0,0]=4 391 B7R1.3 F[C@H]1CCCNC1 C-2765 [0,1,0,1,0,0|2,0,0]=4 392 B7R1.3 IC1CCOCC1 C-3266 [0,1,0,1,0,0|1,1,0]=4 393 B7R1.3 NC1CCCOC1 I-9177 [0,1,0,1,0,0|1,1,0]=4 394 B7R1.3 NC1CCCOC1 Q56350 [0,1,0,1,0,0|1,1,0]=4 395 B7R1.3 NC1CCOCC1 B-1768 [0,1,0,1,0,0|1,1,0]=4 396 B7R1.3 NC1CCOCC1 G-5110 [0,1,0,1,0,0|1,1,0]=4 397 B7R1.3 NC1CCSCC1 O33298 [0,1,0,1,0,0|1,0,0]=3 398 B7R1.3 N[C@@H]1CCCNC1 I-9160 [0,1,0,1,0,0|2,0,0]=4 399 B7R1.3 N[C@@H]1CCCOC1 I-9746 [0,1,0,1,0,0|1,1,0]=4 400 B7R1.3 O=C1CCCSC1 G-5937 [0,1,0,1,0,0|1,0,1]=4 401 B7R1.3 O=C1CCSCC1 C-2949 [0,1,0,1,0,0|1,0,1]=4 402 B7R1.3 OC1CCCOC1 G-6220 [0,1,0,1,0,0|1,1,0]=4 403 B7R1.3 OC1CCNCC1 Q52555 [0,1,0,1,0,0|2,0,0]=4 404 B7R1.3 OC1CCOCC1 B-1769 [0,1,0,1,0,0|1,1,0]=4 405 B7R1.3 OC1CCSCC1 Q69934 [0,1,0,1,0,0|1,0,0]=3 406 B7R1.3 O[C@@H]1CCCNC1 K12060 [0,1,0,1,0,0|2,0,0]=4 407 B7R1.3 O[C@@H]1CCCOC1 P44487 [0,1,0,1,0,0|1,1,0]=4 408 B7R1.3 O[C@H]1CCCNC1 K12075 [0,1,0,1,0,0|2,0,0]=4 409 B7R1.3 O[C@H]1CCCNC1 L13549 [0,1,0,1,0,0|2,0,0]=4 410 B7R1.3 O[C@H]1CCCOC1 P51230 [0,1,0,1,0,0|1,1,0]=4 411 B7R1.3 SC1CCCNC1 L21541 [0,1,0,1,0,0|2,0,0]=4 412 B7R1.3 SC1CCCOC1 Q57701 [0,1,0,1,0,0|1,1,0]=4 413 B7R1.3 SC1CCNCC1 I-9049 [0,1,0,1,0,0|2,0,0]=4 414 B7R1.4 CC1CCNC1C Q61659 [0,1,0,1,0,0|2,0,0]=4 415 B7R1.4 CC1CNCC1C O33388 [0,1,0,1,0,0|2,0,0]=4 416 B7R1.4 CC1CNCC1F Q54416 [0,1,0,1,0,0|2,0,0]=4 417 B7R1.4 CC1CNCC1O Q59312 [0,1,0,1,0,0|2,0,0]=4 418 B7R1.4 CN1CCCC1=N Q59266 [0,1,0,1,0,0|2,0,0]=4 419 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53279 [0,1,0,1,0,0|2,0,0]=4 420 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53280 [0,1,0,1,0,0|2,0,0]=4 421 B7R1.4 C[C@@H]1CNC[C@@H]1F Q56053 [0,1,0,1,0,0|2,0,0]=4 422 B7R1.4 C[C@@H]1CNC[C@@H]1F Q56054 [0,1,0,1,0,0|2,0,0]=4 423 B7R1.4 C[C@@H]1CNC[C@@H]1N Q61701 [0,1,0,1,0,0|2,0,0]=4 424 B7R1.4 C[C@@H]1CNC[C@@H]1N Q61702 [0,1,0,1,0,0|2,0,0]=4 425 B7R1.4 C[C@@H]1CNC[C@@H]1O L22286 [0,1,0,1,0,0|2,0,0]=4 426 B7R1.4 C[C@@H]1CNC[C@@H]1O Q55495 [0,1,0,1,0,0|2,0,0]=4 427 B7R1.4 C[C@@H]1CNC[C@H]1O L22285 [0,1,0,1,0,0|2,0,0]=4 428 B7R1.4 C[C@@H]1CNC[C@H]1O Q55494 [0,1,0,1,0,0|2,0,0]=4 429 B7R1.4 C[C@@H]1COC[C@H]1N F-4262 [0,1,0,1,0,0|1,1,0]=4 430 B7R1.4 C[C@@H]1NCC[C@@H]1O Q64145 [0,1,0,1,0,0|2,0,0]=4 431 B7R1.4 C[C@@H]1NCC[C@H]1O Q64143 [0,1,0,1,0,0|2,0,0]=4 432 B7R1.4 C[C@H]1CCC[C@@H]1N Q53277 [0,1,0,1,0,0|2,0,0]=4 433 B7R1.4 C[C@H]1CCC[C@@H]1N Q53278 [0,1,0,1,0,0|2,0,0]=4 434 B7R1.4 C[C@H]1COC[C@@H]1N L13875 [0,1,0,1,0,0|1,1,0]=4 435 B7R1.4 C[C@H]1NCC[C@@H]1O Q64142 [0,1,0,1,0,0|2,0,0]=4 436 B7R1.4 C[C@H]1NCC[C@H]1O Q64144 [0,1,0,1,0,0|2,0,0]=4 437 B7R1.6 BrCC=C1CCC1 P45894 [0,1,0,1,0,0|2,0,0]=4 438 B7R1.6 BrCCC1CCO1 Q56185 [0,1,0,1,0,0|1,1,0]=4 439 B7R1.6 BrCCC1COC1 Q62635 [0,1,0,1,0,0|1,1,0]=4 440 B7R1.6 BrCCN1CCC1 P49207 [0,1,0,1,0,0|2,0,0]=4 441 B7R1.6 CCCC1CNC1 P43152 [0,1,0,1,0,0|2,0,0]=4 442 B7R1.6 CCCC1CNC1 P44924 [0,1,0,1,0,0|2,0,0]=4 443 B7R1.6 CCNC1CCC1 P34707 [0,1,0,1,0,0|2,0,0]=4 444 B7R1.6 CCNC1CCC1 P45089 [0,1,0,1,0,0|2,0,0]=4 445 B7R1.6 CCNC1CNC1 M22745 [0,1,0,1,0,0|2,0,0]=4 446 B7R1.6 CCNC1CNC1 P45767 [0,1,0,1,0,0|2,0,0]=4 447 B7R1.6 CCNC1COC1 G-6617 [0,1,0,1,0,0|1,1,0]=4 448 B7R1.6 CCOC1CNC1 O28975 [0,1,0,1,0,0|1,1,0]=4 449 B7R1.6 CCOC1CNC1 P44497 [0,1,0,1,0,0|1,1,0]=4 450 B7R1.6 CCSC1CNC1 P46826 [0,1,0,1,0,0|1,0,0]=3 451 B7R1.6 CCSC1CNC1 P48713 [0,1,0,1,0,0|1,0,0]=3 452 B7R1.6 CNCC1CCC1 P42057 [0,1,0,1,0,0|2,0,0]=4 453 B7R1.6 CNCC1CCC1 P44415 [0,1,0,1,0,0|2,0,0]=4 454 B7R1.6 CNCC1CCO1 Q55851 [0,1,0,1,0,0|1,1,0]=4 455 B7R1.6 CNCC1CNC1 P43156 [0,1,0,1,0,0|2,0,0]=4 456 B7R1.6 CNCC1CNC1 P44879 [0,1,0,1,0,0|2,0,0]=4 457 B7R1.6 CNCC1COC1 G-7362 [0,1,0,1,0,0|1,1,0]=4 458 B7R1.6 COCC1CCN1 I-9954 [0,1,0,1,0,0|1,1,0]=4 459 B7R1.6 COCC1CCN1 Q56488 [0,1,0,1,0,0|1,1,0]=4 460 B7R1.6 COCC1CCN1 Q56489 [0,1,0,1,0,0|1,1,0]=4 461 B7R1.6 COCC1CNC1 C-2240 [0,1,0,1,0,0|1,1,0]=4 462 B7R1.6 COCC1CNC1 L13685 [0,1,0,1,0,0|1,1,0]=4 463 B7R1.6 COC[C@@H]1CCN1 G-6501 [0,1,0,1,0,0|1,1,0]=4 464 B7R1.6 COC[C@@H]1CCN1 L13813 [0,1,0,1,0,0|1,1,0]=4 465 B7R1.6 COC[C@H]1CCN1 G-7976 [0,1,0,1,0,0|1,1,0]=4 466 B7R1.6 ClCOC1CCC1 P49912 [0,1,0,1,0,0|1,1,0]=4 467 B7R1.6 FCCC1CNC1 P50454 [0,1,0,1,0,0|2,0,0]=4 468 B7R1.6 ICCC1CCO1 Q56184 [0,1,0,1,0,0|1,1,0]=4 469 B7R1.6 ICCC1COC1 Q62634 [0,1,0,1,0,0|1,1,0]=4 470 B7R1.6 NCCC1CCC1 L18182 [0,1,0,1,0,0|2,0,0]=4 471 B7R1.6 NCCC1CCC1 P48448 [0,1,0,1,0,0|2,0,0]=4 472 B7R1.6 NCCC1CCO1 O32973 [0,1,0,1,0,0|1,1,0]=4 473 B7R1.6 NCCC1CNC1 P48388 [0,1,0,1,0,0|2,0,0]=4 474 B7R1.6 NCCC1COC1 P49100 [0,1,0,1,0,0|1,1,0]=4 475 B7R1.6 NCCC1CSC1 Q58816 [0,1,0,1,0,0|1,0,0]=3 476 B7R1.6 NCCN1CCC1 L14069 [0,1,0,1,0,0|2,0,0]=4 477 B7R1.6 NCC[C@@H]1CCO1 Q56188 [0,1,0,1,0,0|1,1,0]=4 478 B7R1.6 NCC[C@H]1CCO1 Q56187 [0,1,0,1,0,0|1,1,0]=4 479 B7R1.6 OCC=C1CCC1 P45610 [0,1,0,1,0,0|2,0,0]=4 480 B7R1.6 OCCC1CCC1 P34706 [0,1,0,1,0,0|2,0,0]=4 481 B7R1.6 OCCC1CCO1 F-4763 [0,1,0,1,0,0|1,1,0]=4 482 B7R1.6 OCCC1CNC1 L21357 [0,1,0,1,0,0|2,0,0]=4 483 B7R1.6 OCCC1CNC1 P44027 [0,1,0,1,0,0|2,0,0]=4 484 B7R1.6 OCCC1COC1 G-5285 [0,1,0,1,0,0|1,1,0]=4 485 B7R1.6 OCCC1CSC1 Q58815 [0,1,0,1,0,0|1,0,0]=3 486 B7R1.6 OCCN1CCC1 P44493 [0,1,0,1,0,0|2,0,0]=4 487 B7R1.6 OCC[C@@H]1CCO1 Q56146 [0,1,0,1,0,0|1,1,0]=4 488 B7R1.6 OCC[C@H]1CCO1 Q56145 [0,1,0,1,0,0|1,1,0]=4 489 B7R1.8 CC1CCC1CO P48346 [0,1,0,1,0,0|2,0,0]=4 490 B7R1.8 CC1OCC1CO Q56093 [0,1,0,1,0,0|1,1,0]=4 491 B7R1.8 CN1CCC1CN L18103 [0,1,0,1,0,0|2,0,0]=4 492 B7R1.8 CN1CCC1CN P43972 [0,1,0,1,0,0|2,0,0]=4 493 B7R1.8 CN1CCC1CO P47720 [0,1,0,1,0,0|2,0,0]=4 494 B7R1.8 CN1CC[C@@H]1CN L18105 [0,1,0,1,0,0|2,0,0]=4 495 B7R1.8 CN1CC[C@@H]1CN P43970 [0,1,0,1,0,0|2,0,0]=4 496 B7R1.8 CN1CC[C@@H]1CO P46629 [0,1,0,1,0,0|2,0,0]=4 497 B7R1.8 CN1CC[C@H]1CN L18104 [0,1,0,1,0,0|2,0,0]=4 498 B7R1.8 CN1CC[C@H]1CN P43971 [0,1,0,1,0,0|2,0,0]=4 499 B7R1.8 CN1CC[C@H]1CO P44139 [0,1,0,1,0,0|2,0,0]=4 500 B7R1.8 CO[C@@H]1CC[C@@H]1N P50889 [0,1,0,1,0,0|1,1,0]=4 501 B7R1.8 CO[C@@H]1CC[C@@H]1N P50890 [0,1,0,1,0,0|1,1,0]=4 502 B7R1.8 CO[C@@H]1CC[C@H]1N P46967 [0,1,0,1,0,0|1,1,0]=4 503 B7R1.8 CO[C@@H]1CC[C@H]1N P50886 [0,1,0,1,0,0|1,1,0]=4 504 B7R1.8 CO[C@H]1CC[C@@H]1N P50517 [0,1,0,1,0,0|1,1,0]=4 505 B7R1.8 CO[C@H]1CC[C@H]1N P50488 [0,1,0,1,0,0|1,1,0]=4 506 B7R1.10 CCC1CC(=O)C1 P44071 [0,1,0,1,0,0|2,0,0]=4 507 B7R1.10 CCC1CC(N)C1 P48761 [0,1,0,1,0,0|2,0,0]=4 508 B7R1.10 CCN1CC(N)C1 H-8173 [0,1,0,1,0,0|2,0,0]=4 509 B7R1.10 CCN1CC(N)C1 P46517 [0,1,0,1,0,0|2,0,0]=4 510 B7R1.10 CCN1CC(O)C1 C-2413 [0,1,0,1,0,0|2,0,0]=4 511 B7R1.10 CCN1CC(O)C1 P44328 [0,1,0,1,0,0|2,0,0]=4 512 B7R1.10 CNC1CC(O)C1 G-5725 [0,1,0,1,0,0|2,0,0]=4 513 B7R1.10 CNC1CC(O)C1 P48534 [0,1,0,1,0,0|2,0,0]=4 514 B7R1.10 CN[C@H]1C[C@@H](O)C1 I-9565 [0,1,0,1,0,0|2,0,0]=4 515 B7R1.10 CN[C@H]1C[C@H](O)C1 G-7351 [0,1,0,1,0,0|2,0,0]=4 516 B7R1.10 CN[C@H]1C[C@H](O)C1 P49935 [0,1,0,1,0,0|2,0,0]=4 517 B7R1.10 COC1CC(Br)C1 P47967 [0,1,0,1,0,0|1,1,0]=4 518 B7R1.10 COC1CC(N)C1 C-3383 [0,1,0,1,0,0|1,1,0]=4 519 B7R1.10 COC1CC(N)C1 G-5007 [0,1,0,1,0,0|1,1,0]=4 520 B7R1.10 COC1CC(O)C1 P48191 [0,1,0,1,0,0|1,1,0]=4 521 B7R1.10 CO[C@H]1C[C@@H](N)C1 C-3621 [0,1,0,1,0,0|1,1,0]=4 522 B7R1.10 CO[C@H]1C[C@@H](N)C1 C-3621-1 [0,1,0,1,0,0|1,1,0]=4 523 B7R1.10 CO[C@H]1C[C@@H](O)C1 P46991 [0,1,0,1,0,0|1,1,0]=4 524 B7R1.10 CO[C@H]1C[C@H](Br)C1 P47002 [0,1,0,1,0,0|1,1,0]=4 525 B7R1.10 CO[C@H]1C[C@H](N)C1 C-3622 [0,1,0,1,0,0|1,1,0]=4 526 B7R1.10 CO[C@H]1C[C@H](N)C1 C-3622-1 [0,1,0,1,0,0|1,1,0]=4 527 B7R1.10 CO[C@H]1C[C@H](O)C1 P46971 [0,1,0,1,0,0|1,1,0]=4 528 B7R1.22 CCC(=O)C1CC1 I-9941 [0,1,0,1,0,0|2,0,0]=4 529 B7R1.22 CCC(N)C1CC1 L14734 [0,1,0,1,0,0|2,0,0]=4 530 B7R1.22 CCC(O)C1CC1 L14172 [0,1,0,1,0,0|2,0,0]=4 531 B7R1.22 CNC(C)C1CC1 P42683 [0,1,0,1,0,0|2,0,0]=4 532 B7R1.25 CCC1(C)CNC1 P47022 [0,1,0,1,0,0|2,0,0]=4 533 B7R1.25 CCC1(C)CNC1 P47941 [0,1,0,1,0,0|2,0,0]=4 534 B7R1.25 CCC1(N)CCC1 P45271 [0,1,0,1,0,0|2,0,0]=4 535 B7R1.25 CCC1(N)CCC1 P45837 [0,1,0,1,0,0|2,0,0]=4 536 B7R1.25 CCC1(N)CNC1 O33281 [0,1,0,1,0,0|2,0,0]=4 537 B7R1.25 CCC1(N)CNC1 P43157 [0,1,0,1,0,0|2,0,0]=4 538 B7R1.25 CCC1(N)CNC1 P45038 [0,1,0,1,0,0|2,0,0]=4 539 B7R1.25 CCC1(N)COC1 G-5819 [0,1,0,1,0,0|1,1,0]=4 540 B7R1.25 CCC1(O)CNC1 D-2504 [0,1,0,1,0,0|2,0,0]=4 541 B7R1.25 CCC1(O)CNC1 P48641 [0,1,0,1,0,0|2,0,0]=4 542 B7R1.7 CCCNC1CC1 P36383 [0,1,0,1,0,0|2,0,0]=4 543 B7R1.7 CCCNC1CC1 P41552 [0,1,0,1,0,0|2,0,0]=4 544 B7R1.7 CNCCC1CC1 P40835 [0,1,0,1,0,0|2,0,0]=4 545 B7R1.7 NCCNC1CC1 O30035 [0,1,0,1,0,0|2,0,0]=4 546 B7R1.7 OCC#CC1CC1 L14728 [0,1,0,1,0,0|2,0,0]=4 547 B7R1.7 OCCNC1CC1 P38598 [0,1,0,1,0,0|2,0,0]=4 548 B7R1.14 CC1(C)CCCN1 A-592 [0,1,0,1,0,0|2,0,0]=4 549 B7R1.14 CC1(C)CCCN1 Q51927 [0,1,0,1,0,0|2,0,0]=4 550 B7R1.14 CC1(C)CCNC1 I-9310 [0,1,0,1,0,0|2,0,0]=4 551 B7R1.14 CC1(C)CCNC1 Q56449 [0,1,0,1,0,0|2,0,0]=4 552 B7R1.14 CC1(F)CCNC1 L14429 [0,1,0,1,0,0|2,0,0]=4 553 B7R1.14 CC1(F)CCNC1 Q61800 [0,1,0,1,0,0|2,0,0]=4 554 B7R1.14 CC1(N)CCCC1 Q57352 [0,1,0,1,0,0|2,0,0]=4 555 B7R1.14 CC1(N)CCNC1 Q61976 [0,1,0,1,0,0|2,0,0]=4 556 B7R1.14 CC1(N)CCNC1 Q61977 [0,1,0,1,0,0|2,0,0]=4 557 B7R1.14 CC1(N)CCOC1 F-4690 [0,1,0,1,0,0|1,1,0]=4 558 B7R1.14 CC1(O)CCNC1 D-2556 [0,1,0,1,0,0|2,0,0]=4 559 B7R1.14 CC1(O)CCNC1 O28700 [0,1,0,1,0,0|2,0,0]=4 560 B7R1.14 C[C@@]1(F)CCNC1 Q56047 [0,1,0,1,0,0|2,0,0]=4 561 B7R1.14 C[C@@]1(F)CCNC1 Q56048 [0,1,0,1,0,0|2,0,0]=4 562 B7R1.14 C[C@@]1(O)CCNC1 H-8070 [0,1,0,1,0,0|2,0,0]=4 563 B7R1.14 C[C@@]1(O)CCNC1 Q52190 [0,1,0,1,0,0|2,0,0]=4 564 B7R1.14 C[C@]1(F)CCNC1 Q61810 [0,1,0,1,0,0|2,0,0]=4 565 B7R1.14 C[C@]1(F)CCNC1 Q61811 [0,1,0,1,0,0|2,0,0]=4 566 B7R1.14 C[C@]1(O)CCNC1 H-8071 [0,1,0,1,0,0|2,0,0]=4 567 B7R1.14 C[C@]1(O)CCNC1 O33042 [0,1,0,1,0,0|2,0,0]=4 568 B7R1.17 CC1(C)SCC1N Q58807 [0,1,0,1,0,0|2,0,0]=4 569 B7R1.17 CC1(C)SCC1N Q58808 [0,1,0,1,0,0|2,0,0]=4 570 B7R1.17 CC1(C)SC[C@H]1N Q58818 [0,1,0,1,0,0|2,0,0]=4 571 B7R1.18 CC(=O)C1CCC1 Q54751 [0,1,0,1,0,0|2,0,0]=4 572 B7R1.18 CC(=O)N1CCC1 P45596 [0,1,0,1,0,0|2,0,0]=4 573 B7R1.18 CC(C)C1CCN1 P45191 [0,1,0,1,0,0|2,0,0]=4 574 B7R1.18 CC(C)C1CCN1 P48185 [0,1,0,1,0,0|2,0,0]=4 575 B7R1.18 CC(C)C1CNC1 P48267 [0,1,0,1,0,0|2,0,0]=4 576 B7R1.18 CC(C)C1CNC1 P48289 [0,1,0,1,0,0|2,0,0]=4 577 B7R1.18 CC(F)C1CNC1 P47135 [0,1,0,1,0,0|2,0,0]=4 578 B7R1.18 CC(N)C1CCC1 L22474 [0,1,0,1,0,0|2,0,0]=4 579 B7R1.18 CC(N)C1CCC1 P45412 [0,1,0,1,0,0|2,0,0]=4 580 B7R1.18 CC(N)C1COC1 L21399 [0,1,0,1,0,0|1,1,0]=4 581 B7R1.18 CC(N)C1COC1 Q52428 [0,1,0,1,0,0|1,1,0]=4 582 B7R1.18 CC(O)C1CCC1 P45236 [0,1,0,1,0,0|2,0,0]=4 583 B7R1.18 CC(O)C1CNC1 L18023 [0,1,0,1,0,0|2,0,0]=4 584 B7R1.18 CC(O)C1CNC1 P43762 [0,1,0,1,0,0|2,0,0]=4 585 B7R1.18 CC(O)C1COC1 P47968 [0,1,0,1,0,0|1,1,0]=4 586 B7R1.18 C[C@@H](N)C1CCC1 P45187 [0,1,0,1,0,0|2,0,0]=4 587 B7R1.18 C[C@@H](N)C1CCC1 P45332 [0,1,0,1,0,0|2,0,0]=4 588 B7R1.18 C[C@@H](O)C1COC1 Q53307 [0,1,0,1,0,0|1,1,0]=4 589 B7R1.18 C[C@H](N)C1CCC1 P48628 [0,1,0,1,0,0|2,0,0]=4 590 B7R1.18 C[C@H](O)C1CCC1 P47847 [0,1,0,1,0,0|2,0,0]=4 591 B7R1.18 C[C@H](O)C1COC1 Q53308 [0,1,0,1,0,0|1,1,0]=4 592 B7R1.20 CC(C)NC1CC1 M23094 [0,1,0,1,0,0|2,0,0]=4 593 B7R1.20 CC(O)CC1CC1 O29763 [0,1,0,1,0,0|2,0,0]=4 594 B7R1.24 C1CNCCOC1 O28784 [0,1,0,1,0,0|1,1,0]=4 595 B7R2.13 C1CC2CC2N1 L14349 [0,0,0,2,0,0|2,0,0]=4 596 B7R2.13 C1CC2CC2N1 Q56284 [0,0,0,2,0,0|2,0,0]=4 597 B7R2.13 C1CC2NC2C1 Q59136 [0,0,0,2,0,0|2,0,0]=4 598 B7R2.13 C1C[C@@H]2C[C@@H]2N1 Q56920 [0,0,0,2,0,0|2,0,0]=4 599 B7R2.13 C1C[C@H]2C[C@H]2N1 Q56921 [0,0,0,2,0,0|2,0,0]=4 600 B7R2.13 C1NCC2CC12 C-2898 [0,0,0,2,0,0|2,0,0]=4 601 B7R2.13 C1NCC2CC12 Q52508 [0,0,0,2,0,0|2,0,0]=4 602 B7R2.11 C1NC2CC1C2 F-4800 [0,0,0,2,0,0|2,0,0]=4 603 B7R2.11 C1NC2CC1C2 P45727 [0,0,0,2,0,0|2,0,0]=4 604 B7R2.16 C1CC12CNC2 L18227 [0,0,0,2,0,0|2,0,0]=4 605 B7R2.16 C1CC12CNC2 P43788 [0,0,0,2,0,0|2,0,0]=4 606 B7R2.16 C1CC12CNC2 Q57095 [0,0,0,2,0,0|2,0,0]=4 607 B7R2.16 C1CC2(C1)CO2 Q57662 [0,0,0,2,0,0|1,1,0]=4 608 B7R2.16 C1CC2(CC2)N1 Q53295 [0,0,0,2,0,0|2,0,0]=4 609 B7R2.16 C1CC2(CC2)N1 Q53296 [0,0,0,2,0,0|2,0,0]=4