0 B6R1.1 C1=CCNCC1 C-2421 [0,0,0,0,0,0|0,0,2]=2 1 B6R1.1 C1=CCOCC1 G-7030 [0,0,0,0,0,0|1,0,2]=3 2 B7R1.3 BrC1=CCCCC1 N24288 [0,1,0,0,0,0|1,0,1]=3 3 B7R1.3 BrC1=CCCNC1 Q65300 [0,1,0,0,0,0|0,0,2]=3 4 B7R1.3 BrC1C=CCCC1 P44668 [0,1,0,0,0,0|1,0,1]=3 5 B7R1.3 BrC1CCCNC1 H-8368 [0,1,0,0,0,0|0,0,0]=1 6 B7R1.3 BrC1CCCOC1 O33555 [0,1,0,0,0,0|1,0,0]=2 7 B7R1.3 BrC1CCOCC1 C-3420 [0,1,0,0,0,0|1,0,0]=2 8 B7R1.3 C=C1CCCNC1 Q59836 [0,1,0,0,0,0|0,0,1]=2 9 B7R1.3 C=C1CCCOC1 Q54979 [0,1,0,0,0,0|1,0,1]=3 10 B7R1.3 C=C1CCNCC1 H-8338 [0,1,0,0,0,0|0,0,1]=2 11 B7R1.3 C=C1CCNCC1 Q55164 [0,1,0,0,0,0|0,0,1]=2 12 B7R1.3 C=C1CCOCC1 L13714 [0,1,0,0,0,0|1,0,1]=3 13 B7R1.3 CC1=CCCNC1 I-9121 [0,1,0,0,0,0|0,0,2]=3 14 B7R1.3 CC1=CCNCC1 I-9119 [0,1,0,0,0,0|0,0,2]=3 15 B7R1.3 CC1CNCCO1 B-1061 [0,1,0,0,0,0|1,0,0]=2 16 B7R1.3 CC1CNCCO1 B-1061-1 [0,1,0,0,0,0|1,0,0]=2 17 B7R1.3 CC1COCCN1 B-1060 [0,1,0,0,0,0|1,0,0]=2 18 B7R1.3 CC1COCCN1 O28936 [0,1,0,0,0,0|1,0,0]=2 19 B7R1.3 C[C@@H]1CCCCN1 P40572 [0,1,0,0,0,0|0,0,0]=1 20 B7R1.3 C[C@@H]1CCCNC1 Q55825 [0,1,0,0,0,0|0,0,0]=1 21 B7R1.3 C[C@@H]1CNCCO1 B-1063 [0,1,0,0,0,0|1,0,0]=2 22 B7R1.3 C[C@@H]1CNCCO1 B-1063-1 [0,1,0,0,0,0|1,0,0]=2 23 B7R1.3 C[C@@H]1COCCN1 B-1058 [0,1,0,0,0,0|1,0,0]=2 24 B7R1.3 C[C@@H]1COCCN1 P34848 [0,1,0,0,0,0|1,0,0]=2 25 B7R1.3 C[C@H]1CCCCN1 P38855 [0,1,0,0,0,0|0,0,0]=1 26 B7R1.3 C[C@H]1CCCCN1 Q54716 [0,1,0,0,0,0|0,0,0]=1 27 B7R1.3 C[C@H]1CCCNC1 Q55824 [0,1,0,0,0,0|0,0,0]=1 28 B7R1.3 C[C@H]1CNCCO1 B-1062 [0,1,0,0,0,0|1,0,0]=2 29 B7R1.3 C[C@H]1CNCCO1 B-1062-1 [0,1,0,0,0,0|1,0,0]=2 30 B7R1.3 C[C@H]1COCCN1 B-1059 [0,1,0,0,0,0|1,0,0]=2 31 B7R1.3 C[C@H]1COCCN1 P42980 [0,1,0,0,0,0|1,0,0]=2 32 B7R1.3 ClC1CCCOC1 Q57646 [0,1,0,0,0,0|1,0,0]=2 33 B7R1.3 FC1CCCNC1 C-2254 [0,1,0,0,0,0|0,0,0]=1 34 B7R1.3 F[C@@H]1CCCNC1 G-5231 [0,1,0,0,0,0|0,0,0]=1 35 B7R1.3 F[C@H]1CCCNC1 C-2765 [0,1,0,0,0,0|0,0,0]=1 36 B7R1.3 IC1CCOCC1 C-3266 [0,1,0,0,0,0|1,0,0]=2 37 B7R1.3 N=C1NCCCO1 L19177 [0,1,0,0,0,0|1,0,1]=3 38 B7R1.3 NC1=NCCCN1 M15172 [0,1,0,0,0,0|1,0,1]=3 39 B7R1.3 NC1CCCOC1 I-9177 [0,1,0,0,0,0|1,0,0]=2 40 B7R1.3 NC1CCCOC1 Q56350 [0,1,0,0,0,0|1,0,0]=2 41 B7R1.3 NC1CCOCC1 B-1768 [0,1,0,0,0,0|1,0,0]=2 42 B7R1.3 NC1CCOCC1 G-5110 [0,1,0,0,0,0|1,0,0]=2 43 B7R1.3 NC1CCSCC1 O33298 [0,1,0,0,0,0|1,0,0]=2 44 B7R1.3 N[C@@H]1CCCNC1 I-9160 [0,1,0,0,0,0|0,0,0]=1 45 B7R1.3 N[C@@H]1CCCOC1 I-9746 [0,1,0,0,0,0|1,0,0]=2 46 B7R1.3 O=C1C=CCCN1 O34600 [0,1,0,0,0,0|0,0,3]=4 47 B7R1.3 O=C1CC=CCC1 Q53604 [0,1,0,0,0,0|1,0,2]=4 48 B7R1.3 O=C1CCCNC1 A-184 [0,1,0,0,0,0|0,0,1]=2 49 B7R1.3 O=C1CCCOC1 G-6070 [0,1,0,0,0,0|1,0,1]=3 50 B7R1.3 O=C1CCCSC1 G-5937 [0,1,0,0,0,0|1,0,1]=3 51 B7R1.3 O=C1CCOCC1 B-1770 [0,1,0,0,0,0|1,0,1]=3 52 B7R1.3 O=C1CCSCC1 C-2949 [0,1,0,0,0,0|1,0,1]=3 53 B7R1.3 O=C1CNCCO1 O28295 [0,1,0,0,0,0|1,0,1]=3 54 B7R1.3 O=C1COCCN1 B-1038 [0,1,0,0,0,0|1,0,1]=3 55 B7R1.3 O=C1OCCCO1 P43743 [0,1,0,0,0,0|2,0,1]=4 56 B7R1.3 OC1C=CCOC1 Q63933 [0,1,0,0,0,0|1,0,2]=4 57 B7R1.3 OC1CCCOC1 G-6220 [0,1,0,0,0,0|1,0,0]=2 58 B7R1.3 OC1CCNCC1 Q52555 [0,1,0,0,0,0|0,0,0]=1 59 B7R1.3 OC1CCOCC1 B-1769 [0,1,0,0,0,0|1,0,0]=2 60 B7R1.3 OC1CCSCC1 Q69934 [0,1,0,0,0,0|1,0,0]=2 61 B7R1.3 O[C@@H]1C=CCOC1 Q63935 [0,1,0,0,0,0|1,0,2]=4 62 B7R1.3 O[C@@H]1CCCNC1 K12060 [0,1,0,0,0,0|0,0,0]=1 63 B7R1.3 O[C@@H]1CCCOC1 P44487 [0,1,0,0,0,0|1,0,0]=2 64 B7R1.3 O[C@H]1C=CCOC1 Q63934 [0,1,0,0,0,0|1,0,2]=4 65 B7R1.3 O[C@H]1CCCNC1 K12075 [0,1,0,0,0,0|0,0,0]=1 66 B7R1.3 O[C@H]1CCCNC1 L13549 [0,1,0,0,0,0|0,0,0]=1 67 B7R1.3 O[C@H]1CCCOC1 P51230 [0,1,0,0,0,0|1,0,0]=2 68 B7R1.3 SC1CCCNC1 L21541 [0,1,0,0,0,0|0,0,0]=1 69 B7R1.3 SC1CCCOC1 Q57701 [0,1,0,0,0,0|1,0,0]=2 70 B7R1.3 SC1CCNCC1 I-9049 [0,1,0,0,0,0|0,0,0]=1 71 B5R0.2 C#CCCCI P39399 [0,0,1,0,0,0|1,0,2]=4 72 B5R0.2 C#CCCCO P37563 [0,0,1,0,0,0|1,0,2]=4 73 B5R0.2 C#CCCNC L20446 [0,0,1,0,0,0|0,0,2]=3 74 B5R0.2 C#CCNCC P37598 [0,0,1,0,0,0|0,0,2]=3 75 B5R0.2 C#CCOCC O29883 [0,0,1,0,0,0|1,0,2]=4 76 B5R0.2 CCNCCCl L21040 [0,0,1,0,0,0|1,0,0]=2 77 B5R0.2 CNCCSC M23087 [0,0,1,0,0,0|1,0,0]=2 78 B5R0.2 CSCCCN P39434 [0,0,1,0,0,0|1,0,0]=2 79 B5R0.2 NCC#CCN L19650 [0,0,1,0,0,0|1,0,2]=4 80 B5R0.2 NCC#CCO L20035 [0,0,1,0,0,0|1,0,2]=4 81 B5R0.2 NCCCCS L19142 [0,0,1,0,0,0|1,0,0]=2 82 B5R0.2 [N-]=[N+]=NCCN P42423 [0,0,1,0,0,0|3,0,0]=4 83 B7R2.13 C1=CC2OC2C1 Q61735 [0,0,0,1,0,0|1,0,2]=4 84 B7R2.13 C1CC2CC2N1 L14349 [0,0,0,1,0,0|0,0,0]=1 85 B7R2.13 C1CC2CC2N1 Q56284 [0,0,0,1,0,0|0,0,0]=1 86 B7R2.13 C1CC2NC2C1 Q59136 [0,0,0,1,0,0|0,0,0]=1 87 B7R2.13 C1C[C@@H]2C[C@@H]2N1 Q56920 [0,0,0,1,0,0|0,0,0]=1 88 B7R2.13 C1C[C@H]2C[C@H]2N1 Q56921 [0,0,0,1,0,0|0,0,0]=1 89 B7R2.13 C1NCC2CC12 C-2898 [0,0,0,1,0,0|0,0,0]=1 90 B7R2.13 C1NCC2CC12 Q52508 [0,0,0,1,0,0|0,0,0]=1 91 B7R2.13 C1OCC2OC12 I-9100 [0,0,0,1,0,0|2,0,0]=3 92 B5R1.1 C1CSCO1 P51538 [0,0,0,0,1,0|2,0,0]=3 93 B7R1.24 C1CNCCOC1 O28784 [0,0,0,0,0,1|0,0,0]=1 94 B4R0.2 C#CCCN O34440 [1,0,1,0,0,0|0,0,2]=4 95 B4R0.2 C#CCNC P38619 [1,0,1,0,0,0|0,0,2]=4 96 B4R0.2 C=CCCN L22153 [1,0,1,0,0,0|0,0,2]=4 97 B4R0.2 CCCNN O30752 [1,0,1,0,0,0|1,0,0]=3 98 B4R0.2 CNCCBr O34465 [1,0,1,0,0,0|1,0,0]=3 99 B4R0.2 COCCI O28025 [1,0,1,0,0,0|2,0,0]=4 100 B4R0.2 CSCCBr O31085 [1,0,1,0,0,0|2,0,0]=4 101 B4R0.2 CSCCN P36563 [1,0,1,0,0,0|1,0,0]=3 102 B4R0.2 NCCCS A-986 [1,0,1,0,0,0|1,0,0]=3 103 B4R0.2 NCCCS M15465 [1,0,1,0,0,0|1,0,0]=3 104 B6R0.1 C#CC(O)CCC P42817 [0,1,1,0,0,0|1,0,1]=4 105 B6R0.1 CCC(S)CCO O29430 [0,1,1,0,0,0|1,0,0]=3 106 B6R0.1 CCC[C@@H](N)CO P35977 [0,1,1,0,0,0|1,0,0]=3 107 B6R0.1 CCC[C@H](N)CO P39535 [0,1,1,0,0,0|1,0,0]=3 108 B6R0.1 CCN(C)CCO Q66070 [0,1,1,0,0,0|1,0,0]=3 109 B6R0.1 CCNC(=O)CN P39222 [0,1,1,0,0,0|1,0,1]=4 110 B6R0.1 CCNC(=O)CO O31312 [0,1,1,0,0,0|1,0,1]=4 111 B6R0.1 CCNC(=O)NC M15284 [0,1,1,0,0,0|1,0,1]=4 112 B6R0.1 CNC(=O)CCCl P38167 [0,1,1,0,0,0|1,0,1]=4 113 B6R0.1 CNC(=O)CCN P37692 [0,1,1,0,0,0|1,0,1]=4 114 B6R0.1 CNCC(=O)NC P37691 [0,1,1,0,0,0|1,0,1]=4 115 B6R0.1 CNCC(=O)NC P38046 [0,1,1,0,0,0|1,0,1]=4 116 B6R0.4 C#CCCC(C)O L18987 [0,1,1,0,0,0|1,0,1]=4 117 B6R0.4 C#CCNC(C)C L20531 [0,1,1,0,0,0|0,0,2]=4 118 B6R0.4 CC(Br)CCC#N L20214 [0,1,1,0,0,0|0,0,2]=4 119 B6R0.4 CC(C)CCON L20789 [0,1,1,0,0,0|1,0,0]=3 120 B6R0.4 CC(C)NCC#N O29997 [0,1,1,0,0,0|1,0,1]=4 121 B6R0.4 CC(C)NCC#N O32001 [0,1,1,0,0,0|1,0,1]=4 122 B6R0.4 CC(C)NCCCl O34399 [0,1,1,0,0,0|1,0,0]=3 123 B6R0.4 CCNCC(=O)O P37534 [0,1,1,0,0,0|1,0,1]=4 124 B6R0.4 CCNCC(N)=O P36580 [0,1,1,0,0,0|1,0,1]=4 125 B6R0.4 CN(C)CCCBr O34500 [0,1,1,0,0,0|1,0,0]=3 126 B6R0.4 CNCCC(=O)O P36779 [0,1,1,0,0,0|1,0,1]=4 127 B6R0.4 CNCCC(=O)O P39205 [0,1,1,0,0,0|1,0,1]=4 128 B6R0.4 CNCCC(C)O P38146 [0,1,1,0,0,0|0,0,0]=2 129 B6R0.4 CNCCC(N)=O P37896 [0,1,1,0,0,0|1,0,1]=4 130 B6R0.6 BrCCNCCBr M15186 [0,1,1,0,0,0|1,0,0]=3 131 B6R0.6 C#CCCCCI P39398 [0,1,1,0,0,0|1,0,1]=4 132 B6R0.6 C#CCCCCN O31570 [0,1,1,0,0,0|0,0,1]=3 133 B6R0.6 C#CCCCNC L19187 [0,1,1,0,0,0|0,0,1]=3 134 B6R0.6 C#CCOCCN P42183 [0,1,1,0,0,0|0,0,2]=4 135 B6R0.6 CNCCCCN L19491 [0,1,1,0,0,0|0,0,0]=2 136 B6R0.6 CNCCCOC P37437 [0,1,1,0,0,0|0,0,0]=2 137 B6R0.6 COCCCCN O29739 [0,1,1,0,0,0|0,0,0]=2 138 B6R0.6 NCCOCCN P39125 [0,1,1,0,0,0|1,0,0]=3 139 B6R0.6 OCCOCCBr P37296 [0,1,1,0,0,0|2,0,0]=4 140 B6R0.6 OCCOCCI P41754 [0,1,1,0,0,0|2,0,0]=4 141 B6R0.6 [N-]=[N+]=NCCCN M23188 [0,1,1,0,0,0|2,0,0]=4 142 B6R1.2 BrC1CCOC1 C-3309 [0,1,0,0,1,0|1,0,0]=3 143 B6R1.2 CC1CCCN1 Q61737 [0,1,0,0,1,0|0,0,0]=2 144 B6R1.2 CC1CCNC1 M22664 [0,1,0,0,1,0|0,0,0]=2 145 B6R1.2 CN1CC=CC1 Q61507 [0,1,0,0,1,0|0,0,2]=4 146 B6R1.2 C[C@@H]1CCCN1 L14631 [0,1,0,0,1,0|0,0,0]=2 147 B6R1.2 C[C@@H]1CCNC1 L13628 [0,1,0,0,1,0|0,0,0]=2 148 B6R1.2 C[C@H]1CCNC1 L14084 [0,1,0,0,1,0|0,0,0]=2 149 B6R1.2 ClC1CCNC1 P42791 [0,1,0,0,1,0|0,0,0]=2 150 B6R1.2 FC1=CCNC1 Q63558 [0,1,0,0,1,0|0,0,2]=4 151 B6R1.2 FC1CCNC1 A-349 [0,1,0,0,1,0|0,0,0]=2 152 B6R1.2 FC1CCNC1 C-2208 [0,1,0,0,1,0|0,0,0]=2 153 B6R1.2 FC1CCNC1 P51370 [0,1,0,0,1,0|0,0,0]=2 154 B6R1.2 F[C@@H]1CCNC1 O33274 [0,1,0,0,1,0|0,0,0]=2 155 B6R1.2 F[C@H]1CCNC1 A-348 [0,1,0,0,1,0|0,0,0]=2 156 B6R1.2 F[C@H]1CCNC1 L22005 [0,1,0,0,1,0|0,0,0]=2 157 B6R1.2 IC1CCCC1 I-9679 [0,1,0,0,1,0|0,0,0]=2 158 B6R1.2 IC1CCOC1 C-3308 [0,1,0,0,1,0|1,0,0]=3 159 B6R1.2 I[C@@H]1CCOC1 G-5348 [0,1,0,0,1,0|1,0,0]=3 160 B6R1.2 I[C@H]1CCOC1 G-5349 [0,1,0,0,1,0|1,0,0]=3 161 B6R1.2 NC1CC=CC1 F-4367 [0,1,0,0,1,0|0,0,2]=4 162 B6R1.2 NC1CC=CC1 Q57040 [0,1,0,0,1,0|0,0,2]=4 163 B6R1.2 NC1CCOC1 B-1171 [0,1,0,0,1,0|1,0,0]=3 164 B6R1.2 NC1CCOC1 P39935 [0,1,0,0,1,0|1,0,0]=3 165 B6R1.2 NN1CCCC1 M23462 [0,1,0,0,1,0|0,0,0]=2 166 B6R1.2 N[C@@H]1CCOC1 F-4072 [0,1,0,0,1,0|1,0,0]=3 167 B6R1.2 N[C@@H]1CCOC1 G-5144 [0,1,0,0,1,0|1,0,0]=3 168 B6R1.2 N[C@H]1CCOC1 F-4071 [0,1,0,0,1,0|1,0,0]=3 169 B6R1.2 N[C@H]1CCOC1 G-5145 [0,1,0,0,1,0|1,0,0]=3 170 B6R1.2 O=C1CCNC1 C-2247 [0,1,0,0,1,0|0,0,1]=3 171 B6R1.2 O=C1CCNC1 S72535 [0,1,0,0,1,0|0,0,1]=3 172 B6R1.2 O=C1CCOC1 B-1767 [0,1,0,0,1,0|1,0,1]=4 173 B6R1.2 O=C1CCSC1 G-7753 [0,1,0,0,1,0|1,0,1]=4 174 B6R1.2 OC1C=CCC1 Q62924 [0,1,0,0,1,0|0,0,2]=4 175 B6R1.2 OC1CCNC1 G-5959 [0,1,0,0,1,0|0,0,0]=2 176 B6R1.2 OC1CCNC1 I-9548 [0,1,0,0,1,0|0,0,0]=2 177 B6R1.2 OC1CCOC1 C-3328 [0,1,0,0,1,0|1,0,0]=3 178 B6R1.2 O[C@@H]1CCOC1 G-5347 [0,1,0,0,1,0|1,0,0]=3 179 B6R1.2 O[C@H]1CCOC1 G-6766 [0,1,0,0,1,0|1,0,0]=3 180 B6R1.2 S=C1NCCO1 O31137 [0,1,0,0,1,0|1,0,1]=4 181 B8R1.22 BrC1CCCCCC1 P39447 [0,1,0,0,0,1|1,0,0]=3 182 B8R1.22 CC1CCNCCN1 L14127 [0,1,0,0,0,1|0,0,0]=2 183 B8R1.22 FC1CCCNCC1 L18431 [0,1,0,0,0,1|0,0,0]=2 184 B8R1.22 O=C1CCCNCC1 A-576 [0,1,0,0,0,1|0,0,0]=2 185 B8R1.22 O=C1CCNCCN1 Q52595 [0,1,0,0,0,1|0,0,1]=3 186 B8R1.22 O=C1CNCCCN1 O34379 [0,1,0,0,0,1|0,0,1]=3 187 B8R1.22 O=C1CNCCNC1 P46870 [0,1,0,0,0,1|0,0,1]=3 188 B8R1.22 OC1CNCCNC1 P46534 [0,1,0,0,0,1|0,0,0]=2 189 B8R1.2 BrCC1=CCCCC1 G-7545 [0,2,0,0,0,0|1,0,1]=4 190 B8R1.2 BrCC1CCCNC1 Q55055 [0,2,0,0,0,0|0,0,0]=2 191 B8R1.2 BrCC1CCCOC1 G-6343 [0,2,0,0,0,0|1,0,0]=3 192 B8R1.2 BrCC1CCNCC1 L21509 [0,2,0,0,0,0|0,0,0]=2 193 B8R1.2 BrCC1CCOCC1 G-5150 [0,2,0,0,0,0|1,0,0]=3 194 B8R1.2 BrCC1CCSCC1 O29933 [0,2,0,0,0,0|1,0,0]=3 195 B8R1.2 BrC[C@@H]1CCCNC1 Q55056 [0,2,0,0,0,0|0,0,0]=2 196 B8R1.2 BrC[C@@H]1CCCOC1 Q62734 [0,2,0,0,0,0|1,0,0]=3 197 B8R1.2 BrC[C@H]1CCCNC1 Q55057 [0,2,0,0,0,0|0,0,0]=2 198 B8R1.2 BrC[C@H]1CCCOC1 Q62735 [0,2,0,0,0,0|1,0,0]=3 199 B8R1.2 C#CC1CCCCN1 O30119 [0,2,0,0,0,0|0,0,0]=2 200 B8R1.2 C#CC1CCCCO1 Q62780 [0,2,0,0,0,0|1,0,0]=3 201 B8R1.2 C#CC1CCCNC1 L13025 [0,2,0,0,0,0|0,0,0]=2 202 B8R1.2 C#CC1CCCNC1 Q56306 [0,2,0,0,0,0|0,0,0]=2 203 B8R1.2 C#CC1CCCOC1 Q56322 [0,2,0,0,0,0|1,0,0]=3 204 B8R1.2 C#CC1CCNCC1 I-9267 [0,2,0,0,0,0|0,0,0]=2 205 B8R1.2 C#CC1CCNCC1 Q56307 [0,2,0,0,0,0|0,0,0]=2 206 B8R1.2 C#CC1CCOCC1 C-3588 [0,2,0,0,0,0|1,0,0]=3 207 B8R1.2 C#CC1CCSCC1 O32975 [0,2,0,0,0,0|1,0,0]=3 208 B8R1.2 C#C[C@@H]1CCCCO1 Q62782 [0,2,0,0,0,0|1,0,0]=3 209 B8R1.2 C#C[C@H]1CCCCO1 Q62781 [0,2,0,0,0,0|1,0,0]=3 210 B8R1.2 C=CC1CCOCC1 Q57821 [0,2,0,0,0,0|1,0,0]=3 211 B8R1.2 CCC1CCNCC1 P41021 [0,2,0,0,0,0|0,0,0]=2 212 B8R1.2 CCC1CNCCO1 B-1069 [0,2,0,0,0,0|1,0,0]=3 213 B8R1.2 CCC1COCCN1 B-1066 [0,2,0,0,0,0|1,0,0]=3 214 B8R1.2 CC[C@@H]1CCCCN1 Q54717 [0,2,0,0,0,0|0,0,0]=2 215 B8R1.2 CC[C@@H]1CCCNC1 Q61422 [0,2,0,0,0,0|0,0,0]=2 216 B8R1.2 CC[C@@H]1CNCCO1 B-1071 [0,2,0,0,0,0|1,0,0]=3 217 B8R1.2 CC[C@@H]1COCCN1 B-1064 [0,2,0,0,0,0|1,0,0]=3 218 B8R1.2 CC[C@H]1CCCNC1 Q61421 [0,2,0,0,0,0|0,0,0]=2 219 B8R1.2 CC[C@H]1CNCCO1 B-1070 [0,2,0,0,0,0|1,0,0]=3 220 B8R1.2 CC[C@H]1COCCN1 B-1065 [0,2,0,0,0,0|1,0,0]=3 221 B8R1.2 CNC1CCCNC1 K10899 [0,2,0,0,0,0|0,0,0]=2 222 B8R1.2 CNC1CCCSC1 Q57932 [0,2,0,0,0,0|1,0,0]=3 223 B8R1.2 CNC1CCCSC1 Q57933 [0,2,0,0,0,0|1,0,0]=3 224 B8R1.2 CNC1CCNCC1 L21525 [0,2,0,0,0,0|0,0,0]=2 225 B8R1.2 CNC1CCOCC1 G-5151 [0,2,0,0,0,0|1,0,0]=3 226 B8R1.2 CN[C@@H]1CCCOC1 Q55431 [0,2,0,0,0,0|1,0,0]=3 227 B8R1.2 CN[C@H]1CCCOC1 Q55432 [0,2,0,0,0,0|1,0,0]=3 228 B8R1.2 COC1CCCNC1 C-3504 [0,2,0,0,0,0|0,0,0]=2 229 B8R1.2 COC1CCCNC1 M22805 [0,2,0,0,0,0|0,0,0]=2 230 B8R1.2 COC1CCNCC1 C-2394 [0,2,0,0,0,0|0,0,0]=2 231 B8R1.2 COC1CCNCC1 C-3203 [0,2,0,0,0,0|0,0,0]=2 232 B8R1.2 CON1CCNCC1 H-8599 [0,2,0,0,0,0|1,0,0]=3 233 B8R1.2 CO[C@@H]1CCCNC1 G-7538 [0,2,0,0,0,0|0,0,0]=2 234 B8R1.2 CO[C@@H]1CCCNC1 L13637 [0,2,0,0,0,0|0,0,0]=2 235 B8R1.2 CO[C@H]1CCCNC1 G-5239 [0,2,0,0,0,0|0,0,0]=2 236 B8R1.2 CO[C@H]1CCCNC1 L21633 [0,2,0,0,0,0|0,0,0]=2 237 B8R1.2 CSC1CCCNC1 H-8554 [0,2,0,0,0,0|0,0,0]=2 238 B8R1.2 CSC1CCNCC1 C-2200 [0,2,0,0,0,0|0,0,0]=2 239 B8R1.2 ClCC1CCNCC1 L21584 [0,2,0,0,0,0|0,0,0]=2 240 B8R1.2 FCC1CCCCN1 Q52081 [0,2,0,0,0,0|0,0,0]=2 241 B8R1.2 FCC1CCCNC1 M23801 [0,2,0,0,0,0|0,0,0]=2 242 B8R1.2 FCC1CCNCC1 L13946 [0,2,0,0,0,0|0,0,0]=2 243 B8R1.2 FC[C@@H]1CCCCN1 Q52082 [0,2,0,0,0,0|0,0,0]=2 244 B8R1.2 FC[C@@H]1CCCNC1 Q65004 [0,2,0,0,0,0|0,0,0]=2 245 B8R1.2 FC[C@H]1CCCCN1 Q52083 [0,2,0,0,0,0|0,0,0]=2 246 B8R1.2 FC[C@H]1CCCNC1 Q65002 [0,2,0,0,0,0|0,0,0]=2 247 B8R1.2 ICC1CCOCC1 C-3412 [0,2,0,0,0,0|1,0,0]=3 248 B8R1.2 N#CC1CCCCC1 P45205 [0,2,0,0,0,0|1,0,0]=3 249 B8R1.2 N#CC1CCCCN1 A-125 [0,2,0,0,0,0|0,0,0]=2 250 B8R1.2 N#CC1CCCCS1 Q57985 [0,2,0,0,0,0|1,0,0]=3 251 B8R1.2 N#CC1CCCNC1 A-124 [0,2,0,0,0,0|0,0,0]=2 252 B8R1.2 N#CC1CCCNC1 G-5248 [0,2,0,0,0,0|0,0,0]=2 253 B8R1.2 N#CC1CCCOC1 Q54972 [0,2,0,0,0,0|1,0,0]=3 254 B8R1.2 N#CC1CCNCC1 A-123 [0,2,0,0,0,0|0,0,0]=2 255 B8R1.2 N#CC1CCOCC1 C-3419 [0,2,0,0,0,0|1,0,0]=3 256 B8R1.2 N#CC1CCSCC1 L14051 [0,2,0,0,0,0|1,0,0]=3 257 B8R1.2 N#CC1CNCCN1 A-503 [0,2,0,0,0,0|1,0,0]=3 258 B8R1.2 N#C[C@@H]1CCCCN1 L18519 [0,2,0,0,0,0|0,0,0]=2 259 B8R1.2 N#C[C@@H]1CCCCN1 O33498 [0,2,0,0,0,0|0,0,0]=2 260 B8R1.2 N#C[C@@H]1CCCCN1 Q52040 [0,2,0,0,0,0|0,0,0]=2 261 B8R1.2 N#C[C@@H]1CCCNC1 L14278 [0,2,0,0,0,0|0,0,0]=2 262 B8R1.2 N#C[C@@H]1CCCNC1 P50463 [0,2,0,0,0,0|0,0,0]=2 263 B8R1.2 N#C[C@@H]1CCCNC1 Q65261 [0,2,0,0,0,0|0,0,0]=2 264 B8R1.2 N#C[C@@H]1CNCCO1 F-4344 [0,2,0,0,0,0|1,0,0]=3 265 B8R1.2 N#C[C@H]1CCCCN1 O33248 [0,2,0,0,0,0|0,0,0]=2 266 B8R1.2 N#C[C@H]1CCCCN1 Q52041 [0,2,0,0,0,0|0,0,0]=2 267 B8R1.2 N#C[C@H]1CCCCN1 Q52042 [0,2,0,0,0,0|0,0,0]=2 268 B8R1.2 N#C[C@H]1CCCNC1 L14298 [0,2,0,0,0,0|0,0,0]=2 269 B8R1.2 N#C[C@H]1CCCNC1 Q65260 [0,2,0,0,0,0|0,0,0]=2 270 B8R1.2 NCC1=CCCCC1 P38792 [0,2,0,0,0,0|1,0,1]=4 271 B8R1.2 NCC1CC=CCC1 P39320 [0,2,0,0,0,0|1,0,1]=4 272 B8R1.2 NCC1CCCCS1 Q57980 [0,2,0,0,0,0|1,0,0]=3 273 B8R1.2 NCC1CCCOC1 L21850 [0,2,0,0,0,0|1,0,0]=3 274 B8R1.2 NCC1CCCSC1 Q57994 [0,2,0,0,0,0|1,0,0]=3 275 B8R1.2 NCC1CCOCC1 C-3413 [0,2,0,0,0,0|1,0,0]=3 276 B8R1.2 NCC1CCSCC1 I-9299 [0,2,0,0,0,0|1,0,0]=3 277 B8R1.2 NCC1CCSCC1 O30354 [0,2,0,0,0,0|1,0,0]=3 278 B8R1.2 NCC1CNCCO1 P42498 [0,2,0,0,0,0|1,0,0]=3 279 B8R1.2 NCC1COCCO1 O34357 [0,2,0,0,0,0|2,0,0]=4 280 B8R1.2 NC[C@@H]1CCCCO1 Q62567 [0,2,0,0,0,0|1,0,0]=3 281 B8R1.2 NC[C@@H]1CCCOC1 L18118 [0,2,0,0,0,0|1,0,0]=3 282 B8R1.2 NC[C@@H]1CCCOC1 Q56432 [0,2,0,0,0,0|1,0,0]=3 283 B8R1.2 NC[C@@H]1COCCO1 I-9071 [0,2,0,0,0,0|2,0,0]=4 284 B8R1.2 NC[C@H]1CCCCO1 Q62568 [0,2,0,0,0,0|1,0,0]=3 285 B8R1.2 NC[C@H]1CCCOC1 L18117 [0,2,0,0,0,0|1,0,0]=3 286 B8R1.2 NC[C@H]1CCCOC1 Q56431 [0,2,0,0,0,0|1,0,0]=3 287 B8R1.2 NC[C@H]1COCCO1 I-9072 [0,2,0,0,0,0|2,0,0]=4 288 B8R1.2 NNC1CCCNC1 O31292 [0,2,0,0,0,0|0,0,0]=2 289 B8R1.2 NNC1CCCNC1 O31297 [0,2,0,0,0,0|0,0,0]=2 290 B8R1.2 NNC1CCCOC1 Q52422 [0,2,0,0,0,0|1,0,0]=3 291 B8R1.2 NNC1CCCOC1 Q52423 [0,2,0,0,0,0|1,0,0]=3 292 B8R1.2 NNC1CCNCC1 O29960 [0,2,0,0,0,0|0,0,0]=2 293 B8R1.2 NNC1CCNCC1 O31367 [0,2,0,0,0,0|0,0,0]=2 294 B8R1.2 NNC1CCNCC1 Q57490 [0,2,0,0,0,0|0,0,0]=2 295 B8R1.2 NNC1CCOCC1 C-3567 [0,2,0,0,0,0|1,0,0]=3 296 B8R1.2 NNC1CCOCC1 O31822 [0,2,0,0,0,0|1,0,0]=3 297 B8R1.2 NNC1CCOCC1 Q62217 [0,2,0,0,0,0|1,0,0]=3 298 B8R1.2 NNC1CCSCC1 O31250 [0,2,0,0,0,0|1,0,0]=3 299 B8R1.2 NOC1CCOCC1 Q57828 [0,2,0,0,0,0|1,0,0]=3 300 B8R1.2 O=CC1CCCCO1 Q60246 [0,2,0,0,0,0|1,0,0]=3 301 B8R1.2 O=CC1CCNCC1 O30562 [0,2,0,0,0,0|0,0,0]=2 302 B8R1.2 O=CC1CCOCC1 C-3265 [0,2,0,0,0,0|1,0,0]=3 303 B8R1.2 O=CC1CCSCC1 O32574 [0,2,0,0,0,0|1,0,0]=3 304 B8R1.2 OCC1CCCCS1 Q57888 [0,2,0,0,0,0|1,0,0]=3 305 B8R1.2 OCC1CCCOC1 F-4498 [0,2,0,0,0,0|1,0,0]=3 306 B8R1.2 OCC1CCCSC1 Q57993 [0,2,0,0,0,0|1,0,0]=3 307 B8R1.2 OCC1CCOCC1 C-3562 [0,2,0,0,0,0|1,0,0]=3 308 B8R1.2 OCC1CCSCC1 O31147 [0,2,0,0,0,0|1,0,0]=3 309 B8R1.2 OCC1CNCCO1 B-1078 [0,2,0,0,0,0|1,0,0]=3 310 B8R1.2 OCC1COCCN1 B-1087 [0,2,0,0,0,0|1,0,0]=3 311 B8R1.2 OCC1COCCO1 K16125 [0,2,0,0,0,0|2,0,0]=4 312 B8R1.2 OC[C@@H]1CCCCN1 M23455 [0,2,0,0,0,0|0,0,0]=2 313 B8R1.2 OC[C@@H]1CCCCO1 F-4789 [0,2,0,0,0,0|1,0,0]=3 314 B8R1.2 OC[C@@H]1CCCNC1 P44488 [0,2,0,0,0,0|0,0,0]=2 315 B8R1.2 OC[C@@H]1CCCOC1 P43927 [0,2,0,0,0,0|1,0,0]=3 316 B8R1.2 OC[C@@H]1CNCCN1 B-1173 [0,2,0,0,0,0|1,0,0]=3 317 B8R1.2 OC[C@@H]1CNCCO1 B-1080 [0,2,0,0,0,0|1,0,0]=3 318 B8R1.2 OC[C@@H]1COCCN1 B-1089 [0,2,0,0,0,0|1,0,0]=3 319 B8R1.2 OC[C@@H]1COCCO1 O34308 [0,2,0,0,0,0|2,0,0]=4 320 B8R1.2 OC[C@H]1CCCCN1 M23615 [0,2,0,0,0,0|0,0,0]=2 321 B8R1.2 OC[C@H]1CCCCO1 P43928 [0,2,0,0,0,0|1,0,0]=3 322 B8R1.2 OC[C@H]1CCCNC1 O31559 [0,2,0,0,0,0|0,0,0]=2 323 B8R1.2 OC[C@H]1CCCNC1 P41232 [0,2,0,0,0,0|0,0,0]=2 324 B8R1.2 OC[C@H]1CCCOC1 P43926 [0,2,0,0,0,0|1,0,0]=3 325 B8R1.2 OC[C@H]1CNCCO1 B-1079 [0,2,0,0,0,0|1,0,0]=3 326 B8R1.2 OC[C@H]1COCCN1 B-1088 [0,2,0,0,0,0|1,0,0]=3 327 B8R1.2 OC[C@H]1COCCO1 O34310 [0,2,0,0,0,0|2,0,0]=4 328 B8R1.3 C=C1CCC(=O)CC1 P44029 [0,2,0,0,0,0|1,0,1]=4 329 B8R1.3 C=C1CCC(N)CC1 L19013 [0,2,0,0,0,0|1,0,0]=3 330 B8R1.3 CC1CCC(=O)NC1 L13409 [0,2,0,0,0,0|0,0,1]=3 331 B8R1.3 CC1CCC(F)CN1 Q64642 [0,2,0,0,0,0|0,0,0]=2 332 B8R1.3 CC1CCC(O)CN1 Q61256 [0,2,0,0,0,0|0,0,0]=2 333 B8R1.3 CC1CCC(O)CN1 Q61257 [0,2,0,0,0,0|0,0,0]=2 334 B8R1.3 CC1CNC(=O)CN1 P35228 [0,2,0,0,0,0|1,0,1]=4 335 B8R1.3 CC1COC(C)CN1 P42779 [0,2,0,0,0,0|1,0,0]=3 336 B8R1.3 CN1CCC(I)CC1 Q65219 [0,2,0,0,0,0|0,0,0]=2 337 B8R1.3 CN1CCC(N)CC1 G-5240 [0,2,0,0,0,0|0,0,0]=2 338 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56751 [0,2,0,0,0,0|0,0,1]=3 339 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56752 [0,2,0,0,0,0|0,0,1]=3 340 B8R1.3 C[C@@H]1CC[C@@H](O)CN1 Q56745 [0,2,0,0,0,0|0,0,0]=2 341 B8R1.3 C[C@@H]1CC[C@H](O)CN1 P45650 [0,2,0,0,0,0|0,0,0]=2 342 B8R1.3 C[C@@H]1CC[C@H](O)CN1 Q56748 [0,2,0,0,0,0|0,0,0]=2 343 B8R1.3 C[C@@H]1CC[C@H](O)CN1 Q56749 [0,2,0,0,0,0|0,0,0]=2 344 B8R1.3 C[C@@H]1CNC(=O)CN1 L14453 [0,2,0,0,0,0|1,0,1]=4 345 B8R1.3 C[C@@H]1CO[C@H](C)CN1 H-8048 [0,2,0,0,0,0|1,0,0]=3 346 B8R1.3 C[C@@H]1CO[C@H](C)CN1 K16121 [0,2,0,0,0,0|1,0,0]=3 347 B8R1.3 C[C@H]1CCC(=O)CN1 Q56753 [0,2,0,0,0,0|0,0,1]=3 348 B8R1.3 C[C@H]1CCC(=O)CN1 Q56754 [0,2,0,0,0,0|0,0,1]=3 349 B8R1.3 C[C@H]1CC[C@@H](O)CN1 P50092 [0,2,0,0,0,0|0,0,0]=2 350 B8R1.3 C[C@H]1CC[C@@H](O)CN1 Q56719 [0,2,0,0,0,0|0,0,0]=2 351 B8R1.3 C[C@H]1CC[C@H](N)CC1 P45887 [0,2,0,0,0,0|1,0,0]=3 352 B8R1.3 C[C@H]1CC[C@H](O)CN1 Q56728 [0,2,0,0,0,0|0,0,0]=2 353 B8R1.3 C[C@H]1CC[C@H](O)CN1 Q56729 [0,2,0,0,0,0|0,0,0]=2 354 B8R1.3 C[C@H]1CNC(=O)CN1 L13879 [0,2,0,0,0,0|1,0,1]=4 355 B8R1.3 C[C@H]1CN[C@@H](C)CN1 G-7097 [0,2,0,0,0,0|1,0,0]=3 356 B8R1.3 C[C@H]1CN[C@H](C)CO1 F-4331 [0,2,0,0,0,0|1,0,0]=3 357 B8R1.3 C[C@H]1CO[C@@H](C)CN1 M23096 [0,2,0,0,0,0|1,0,0]=3 358 B8R1.3 C[C@H]1CO[C@@H](C)CN1 O32398 [0,2,0,0,0,0|1,0,0]=3 359 B8R1.3 C[C@H]1CO[C@H](C)CN1 H-8444 [0,2,0,0,0,0|1,0,0]=3 360 B8R1.3 NC1CCC(=O)CC1 P36686 [0,2,0,0,0,0|1,0,0]=3 361 B8R1.3 NC1CCC(=O)NC1 C-3401 [0,2,0,0,0,0|0,0,1]=3 362 B8R1.3 NC1CCC(F)CC1 P48099 [0,2,0,0,0,0|1,0,0]=3 363 B8R1.3 NC1CCC(F)CC1 Q57430 [0,2,0,0,0,0|1,0,0]=3 364 B8R1.3 NC1CCC(O)CC1 P44662 [0,2,0,0,0,0|1,0,0]=3 365 B8R1.3 NC1CCC(O)CC1 P44669 [0,2,0,0,0,0|1,0,0]=3 366 B8R1.3 NC1CCS(=O)CC1 Q54883 [0,2,0,0,0,0|1,0,0]=3 367 B8R1.3 NC1CCS(=O)CC1 Q54884 [0,2,0,0,0,0|1,0,0]=3 368 B8R1.3 NN1CCC(O)CC1 P51626 [0,2,0,0,0,0|0,0,0]=2 369 B8R1.3 N[C@@H]1CCC(=O)NC1 L21492 [0,2,0,0,0,0|0,0,1]=3 370 B8R1.3 N[C@H]1CCC(=O)NC1 L21629 [0,2,0,0,0,0|0,0,1]=3 371 B8R1.3 N[C@H]1CC[C@@H](F)CC1 P44838 [0,2,0,0,0,0|1,0,0]=3 372 B8R1.3 N[C@H]1CC[C@@H](O)CC1 L13980 [0,2,0,0,0,0|1,0,0]=3 373 B8R1.3 N[C@H]1CC[C@H](F)CC1 P44837 [0,2,0,0,0,0|1,0,0]=3 374 B8R1.3 N[C@H]1CC[C@H](N)CC1 Q69448 [0,2,0,0,0,0|1,0,0]=3 375 B8R1.3 N[C@H]1CC[C@H](O)CC1 G-6922 [0,2,0,0,0,0|1,0,0]=3 376 B8R1.3 N[C@H]1CC[C@H](O)CC1 P45541 [0,2,0,0,0,0|1,0,0]=3 377 B8R1.3 O=C1CCC(=O)NC1 Q52611 [0,2,0,0,0,0|0,0,2]=4 378 B8R1.3 O=C1CCC(Br)CC1 P39565 [0,2,0,0,0,0|1,0,0]=3 379 B8R1.3 O=C1CCC(F)CC1 L21631 [0,2,0,0,0,0|1,0,0]=3 380 B8R1.3 O=C1CCC(F)CN1 Q54421 [0,2,0,0,0,0|0,0,1]=3 381 B8R1.3 O=C1CC[C@H](O)CN1 Q52728 [0,2,0,0,0,0|0,0,1]=3 382 B8R1.3 O=S1CCC(O)CC1 Q57900 [0,2,0,0,0,0|1,0,0]=3 383 B8R1.3 OC1CCC(Br)CC1 P44927 [0,2,0,0,0,0|1,0,0]=3 384 B8R1.3 OC1CCC(F)CC1 P43964 [0,2,0,0,0,0|1,0,0]=3 385 B8R1.3 OC1COC(O)CO1 G-7937 [0,2,0,0,0,0|2,0,0]=4 386 B8R1.3 O[C@H]1CC[C@@H](F)CC1 P44855 [0,2,0,0,0,0|1,0,0]=3 387 B8R1.3 O[C@H]1CC[C@@H](O)CC1 L13038 [0,2,0,0,0,0|1,0,0]=3 388 B8R1.3 O[C@H]1CC[C@H](F)CC1 P47218 [0,2,0,0,0,0|1,0,0]=3 389 B8R1.3 O[C@H]1CC[C@H](S)CC1 P45358 [0,2,0,0,0,0|1,0,0]=3 390 B8R1.4 C=C1CCOC(C)C1 Q54980 [0,2,0,0,0,0|1,0,1]=4 391 B8R1.4 CC1CC(=O)CCN1 D-2514 [0,2,0,0,0,0|0,0,1]=3 392 B8R1.4 CC1CC(=O)CCO1 A-836 [0,2,0,0,0,0|1,0,1]=4 393 B8R1.4 CC1CC(Br)CCO1 Q57805 [0,2,0,0,0,0|1,0,0]=3 394 B8R1.4 CC1CC(N)CCO1 A-878 [0,2,0,0,0,0|1,0,0]=3 395 B8R1.4 CC1CC(O)CCN1 G-7300 [0,2,0,0,0,0|0,0,0]=2 396 B8R1.4 CC1CC(O)CCN1 L21311 [0,2,0,0,0,0|0,0,0]=2 397 B8R1.4 CC1CC(O)CCO1 A-877 [0,2,0,0,0,0|1,0,0]=3 398 B8R1.4 CC1CCNC(=O)C1 L13355 [0,2,0,0,0,0|0,0,1]=3 399 B8R1.4 CC1CNCC(F)C1 Q54411 [0,2,0,0,0,0|0,0,0]=2 400 B8R1.4 CN1CCC=C(Br)C1 M23512 [0,2,0,0,0,0|0,0,2]=4 401 B8R1.4 CN1CCCC(N)C1 C-3293 [0,2,0,0,0,0|0,0,0]=2 402 B8R1.4 CN1CCCC(O)C1 C-3297 [0,2,0,0,0,0|0,0,0]=2 403 B8R1.4 CN1CCC[C@@H](N)C1 C-2766 [0,2,0,0,0,0|0,0,0]=2 404 B8R1.4 CN1CCC[C@@H](N)C1 I-9583 [0,2,0,0,0,0|0,0,0]=2 405 B8R1.4 CN1CCC[C@@H](O)C1 G-5242 [0,2,0,0,0,0|0,0,0]=2 406 B8R1.4 CN1CCC[C@H](N)C1 C-2767 [0,2,0,0,0,0|0,0,0]=2 407 B8R1.4 CN1CCC[C@H](N)C1 G-5241 [0,2,0,0,0,0|0,0,0]=2 408 B8R1.4 CN1CCC[C@H](O)C1 G-5243 [0,2,0,0,0,0|0,0,0]=2 409 B8R1.4 CN1CCOC(=O)C1 Q54674 [0,2,0,0,0,0|1,0,1]=4 410 B8R1.4 C[C@@H]1CC(=O)CCN1 G-7641 [0,2,0,0,0,0|0,0,1]=3 411 B8R1.4 C[C@@H]1CC(=O)CCO1 H-8404 [0,2,0,0,0,0|1,0,1]=4 412 B8R1.4 C[C@@H]1CCC[C@@H](C)N1 Q65231 [0,2,0,0,0,0|0,0,0]=2 413 B8R1.4 C[C@@H]1CCC[C@@H](C)N1 Q65232 [0,2,0,0,0,0|0,0,0]=2 414 B8R1.4 C[C@@H]1CCC[C@@H](N)C1 P49440 [0,2,0,0,0,0|1,0,0]=3 415 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45249 [0,2,0,0,0,0|1,0,0]=3 416 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45891 [0,2,0,0,0,0|1,0,0]=3 417 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P45362 [0,2,0,0,0,0|1,0,0]=3 418 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P49441 [0,2,0,0,0,0|1,0,0]=3 419 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45486 [0,2,0,0,0,0|1,0,0]=3 420 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45892 [0,2,0,0,0,0|1,0,0]=3 421 B8R1.4 C[C@@H]1CN(C)CCN1 L13059 [0,2,0,0,0,0|1,0,0]=3 422 B8R1.4 C[C@@H]1CN(C)CCN1 O33264 [0,2,0,0,0,0|1,0,0]=3 423 B8R1.4 C[C@@H]1CN(C)CCN1 P51464 [0,2,0,0,0,0|1,0,0]=3 424 B8R1.4 C[C@@H]1CNCC(=O)N1 L13903 [0,2,0,0,0,0|1,0,1]=4 425 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 10039 [0,2,0,0,0,0|1,0,0]=3 426 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 G-7092 [0,2,0,0,0,0|1,0,0]=3 427 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 I-9064 [0,2,0,0,0,0|1,0,0]=3 428 B8R1.4 C[C@@H]1COC[C@@H](C)N1 F-4699 [0,2,0,0,0,0|1,0,0]=3 429 B8R1.4 C[C@@H]1COC[C@@H](C)N1 H-8097 [0,2,0,0,0,0|1,0,0]=3 430 B8R1.4 C[C@@H]1COC[C@@H](C)N1 L21766 [0,2,0,0,0,0|1,0,0]=3 431 B8R1.4 C[C@@H]1C[C@H](F)CCN1 Q63705 [0,2,0,0,0,0|0,0,0]=2 432 B8R1.4 C[C@@H]1C[C@H](N)CCO1 Q61448 [0,2,0,0,0,0|1,0,0]=3 433 B8R1.4 C[C@@H]1C[C@H](O)CCN1 G-6431 [0,2,0,0,0,0|0,0,0]=2 434 B8R1.4 C[C@@H]1C[C@H](O)CCN1 Q56468 [0,2,0,0,0,0|0,0,0]=2 435 B8R1.4 C[C@H]1CC(=O)CCN1 G-6964 [0,2,0,0,0,0|0,0,1]=3 436 B8R1.4 C[C@H]1CC(=O)CCN1 G-7640 [0,2,0,0,0,0|0,0,1]=3 437 B8R1.4 C[C@H]1CC(=O)CCN1 Q61425 [0,2,0,0,0,0|0,0,1]=3 438 B8R1.4 C[C@H]1CC(=O)CCO1 A-837 [0,2,0,0,0,0|1,0,1]=4 439 B8R1.4 C[C@H]1CCC[C@@H](N)C1 P45360 [0,2,0,0,0,0|1,0,0]=3 440 B8R1.4 C[C@H]1CCC[C@@H](O)C1 P45893 [0,2,0,0,0,0|1,0,0]=3 441 B8R1.4 C[C@H]1CCC[C@H](C)N1 Q65229 [0,2,0,0,0,0|0,0,0]=2 442 B8R1.4 C[C@H]1CCC[C@H](C)N1 Q65230 [0,2,0,0,0,0|0,0,0]=2 443 B8R1.4 C[C@H]1CCC[C@H](N)C1 P45361 [0,2,0,0,0,0|1,0,0]=3 444 B8R1.4 C[C@H]1CCC[C@H](O)C1 P45546 [0,2,0,0,0,0|1,0,0]=3 445 B8R1.4 C[C@H]1CN(C)CCN1 O34294 [0,2,0,0,0,0|1,0,0]=3 446 B8R1.4 C[C@H]1CNCC(=O)N1 G-7098 [0,2,0,0,0,0|1,0,1]=4 447 B8R1.4 C[C@H]1CNCC(=O)N1 H-8010 [0,2,0,0,0,0|1,0,1]=4 448 B8R1.4 C[C@H]1CNC[C@@H](C)N1 G-5759 [0,2,0,0,0,0|1,0,0]=3 449 B8R1.4 C[C@H]1CNC[C@H](C)N1 G-7093 [0,2,0,0,0,0|1,0,0]=3 450 B8R1.4 C[C@H]1CNC[C@H](C)N1 K12343 [0,2,0,0,0,0|1,0,0]=3 451 B8R1.4 C[C@H]1CNC[C@H](C)O1 G-6092 [0,2,0,0,0,0|1,0,0]=3 452 B8R1.4 C[C@H]1CNC[C@H](C)O1 H-8075 [0,2,0,0,0,0|1,0,0]=3 453 B8R1.4 C[C@H]1COC[C@@H](C)N1 G-7868 [0,2,0,0,0,0|1,0,0]=3 454 B8R1.4 C[C@H]1C[C@@H](F)CCN1 Q63704 [0,2,0,0,0,0|0,0,0]=2 455 B8R1.4 C[C@H]1C[C@@H](O)CCN1 G-6430 [0,2,0,0,0,0|0,0,0]=2 456 B8R1.4 C[C@H]1C[C@@H](O)CCN1 Q56467 [0,2,0,0,0,0|0,0,0]=2 457 B8R1.4 F[C@@H]1CNC[C@@H](F)C1 Q63549 [0,2,0,0,0,0|0,0,0]=2 458 B8R1.4 F[C@@H]1CNC[C@H](F)C1 Q63548 [0,2,0,0,0,0|0,0,0]=2 459 B8R1.4 NC1CCCC(=O)C1 P48005 [0,2,0,0,0,0|1,0,0]=3 460 B8R1.4 NC1CCCC(F)C1 P48941 [0,2,0,0,0,0|1,0,0]=3 461 B8R1.4 NC1CCCC(O)C1 F-4485 [0,2,0,0,0,0|1,0,0]=3 462 B8R1.4 NC1CCCC(O)C1 P51354 [0,2,0,0,0,0|1,0,0]=3 463 B8R1.4 NC1CCNC(=O)C1 C-2485 [0,2,0,0,0,0|0,0,1]=3 464 B8R1.4 NC1COCC(=O)C1 P46448 [0,2,0,0,0,0|1,0,1]=4 465 B8R1.4 NC1COCC(=O)C1 Q61511 [0,2,0,0,0,0|1,0,1]=4 466 B8R1.4 NC1COCC(Br)C1 Q54615 [0,2,0,0,0,0|1,0,0]=3 467 B8R1.4 NC1COCC(F)C1 Q61513 [0,2,0,0,0,0|1,0,0]=3 468 B8R1.4 NC1COCC(O)C1 O33183 [0,2,0,0,0,0|1,0,0]=3 469 B8R1.4 NC1COCC(O)C1 Q61082 [0,2,0,0,0,0|1,0,0]=3 470 B8R1.4 N[C@@H]1CCC[C@@H](N)C1 P45856 [0,2,0,0,0,0|1,0,0]=3 471 B8R1.4 N[C@@H]1CCC[C@@H](N)C1 P50869 [0,2,0,0,0,0|1,0,0]=3 472 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 L14375 [0,2,0,0,0,0|1,0,0]=3 473 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 P45284 [0,2,0,0,0,0|1,0,0]=3 474 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 P46977 [0,2,0,0,0,0|1,0,0]=3 475 B8R1.4 N[C@@H]1CCC[C@H](O)C1 P44060 [0,2,0,0,0,0|1,0,0]=3 476 B8R1.4 N[C@@H]1COC[C@@H](N)C1 Q61081 [0,2,0,0,0,0|1,0,0]=3 477 B8R1.4 N[C@@H]1COC[C@@H](O)C1 Q54626 [0,2,0,0,0,0|1,0,0]=3 478 B8R1.4 N[C@@H]1COC[C@H](N)C1 Q61080 [0,2,0,0,0,0|1,0,0]=3 479 B8R1.4 N[C@@H]1COC[C@H](O)C1 Q54624 [0,2,0,0,0,0|1,0,0]=3 480 B8R1.4 N[C@@H]1COC[C@H](O)C1 Q54625 [0,2,0,0,0,0|1,0,0]=3 481 B8R1.4 N[C@H]1CCC[C@@H](F)C1 P48942 [0,2,0,0,0,0|1,0,0]=3 482 B8R1.4 N[C@H]1CCC[C@@H](F)C1 P50330 [0,2,0,0,0,0|1,0,0]=3 483 B8R1.4 N[C@H]1CCC[C@@H](N)C1 L14628 [0,2,0,0,0,0|1,0,0]=3 484 B8R1.4 N[C@H]1CCC[C@@H](N)C1 P45859 [0,2,0,0,0,0|1,0,0]=3 485 B8R1.4 N[C@H]1CCC[C@@H](N)C1 P48039 [0,2,0,0,0,0|1,0,0]=3 486 B8R1.4 N[C@H]1CCC[C@@H](O)C1 K10840 [0,2,0,0,0,0|1,0,0]=3 487 B8R1.4 N[C@H]1CCC[C@@H](O)C1 P44061 [0,2,0,0,0,0|1,0,0]=3 488 B8R1.4 N[C@H]1CCC[C@@H](O)C1 P45304 [0,2,0,0,0,0|1,0,0]=3 489 B8R1.4 N[C@H]1CCC[C@H](F)C1 P46535 [0,2,0,0,0,0|1,0,0]=3 490 B8R1.4 N[C@H]1CCC[C@H](N)C1 L18352 [0,2,0,0,0,0|1,0,0]=3 491 B8R1.4 N[C@H]1CCC[C@H](O)C1 O33050 [0,2,0,0,0,0|1,0,0]=3 492 B8R1.4 N[C@H]1CCC[C@H](O)C1 P45649 [0,2,0,0,0,0|1,0,0]=3 493 B8R1.4 N[C@H]1COC[C@@H](O)C1 Q54628 [0,2,0,0,0,0|1,0,0]=3 494 B8R1.4 N[C@H]1COC[C@H](O)C1 Q54627 [0,2,0,0,0,0|1,0,0]=3 495 B8R1.4 O=C1CC(F)CCN1 Q54422 [0,2,0,0,0,0|0,0,1]=3 496 B8R1.4 O=C1CCCC(=O)C1 P44675 [0,2,0,0,0,0|1,0,1]=4 497 B8R1.4 O=C1CCCC(Br)C1 P45384 [0,2,0,0,0,0|1,0,0]=3 498 B8R1.4 O=C1CCCC(F)C1 P43987 [0,2,0,0,0,0|1,0,0]=3 499 B8R1.4 O=C1CCCC(O)C1 L18346 [0,2,0,0,0,0|1,0,0]=3 500 B8R1.4 O=C1CCC[C@H](O)C1 P47405 [0,2,0,0,0,0|1,0,0]=3 501 B8R1.4 O=C1CCNC(=O)C1 B-1275 [0,2,0,0,0,0|0,0,2]=4 502 B8R1.4 O=C1COCC(F)C1 Q54617 [0,2,0,0,0,0|1,0,1]=4 503 B8R1.4 O=C1COCC(O)C1 Q54616 [0,2,0,0,0,0|1,0,1]=4 504 B8R1.4 O=S1CCCC(Br)C1 Q57991 [0,2,0,0,0,0|1,0,0]=3 505 B8R1.4 OC1COCC(F)C1 Q54619 [0,2,0,0,0,0|1,0,0]=3 506 B8R1.4 OC1COCC(O)C1 Q54618 [0,2,0,0,0,0|1,0,0]=3 507 B8R1.4 O[C@@H]1CNC[C@H](O)C1 Q61083 [0,2,0,0,0,0|0,0,0]=2 508 B8R1.4 O[C@H]1CNC[C@H](O)C1 Q61084 [0,2,0,0,0,0|0,0,0]=2 509 B8R1.5 CC1CCCNC1=O L13669 [0,2,0,0,0,0|0,0,1]=3 510 B8R1.5 CC1CCNCC1=O F-4040 [0,2,0,0,0,0|0,0,1]=3 511 B8R1.5 CC1CCNCC1C Q59916 [0,2,0,0,0,0|0,0,0]=2 512 B8R1.5 CC1CCNCC1F Q59913 [0,2,0,0,0,0|0,0,0]=2 513 B8R1.5 CC1CCNCC1O F-4041 [0,2,0,0,0,0|0,0,0]=2 514 B8R1.5 CC1CCNCC1O G-7991 [0,2,0,0,0,0|0,0,0]=2 515 B8R1.5 CC1CNCCC1=O O34502 [0,2,0,0,0,0|0,0,1]=3 516 B8R1.5 CC1CNCCC1F Q54399 [0,2,0,0,0,0|0,0,0]=2 517 B8R1.5 CC1CNCCC1F Q54400 [0,2,0,0,0,0|0,0,0]=2 518 B8R1.5 CC1CNCCC1O I-9227 [0,2,0,0,0,0|0,0,0]=2 519 B8R1.5 CC1COCCC1=O F-4697 [0,2,0,0,0,0|1,0,1]=4 520 B8R1.5 CC1NCCCC1O Q61133 [0,2,0,0,0,0|0,0,0]=2 521 B8R1.5 CC1NCCNC1=O O34501 [0,2,0,0,0,0|1,0,1]=4 522 B8R1.5 CN1CCNCC1=O G-5499 [0,2,0,0,0,0|1,0,1]=4 523 B8R1.5 CN1CCNCC1=O G-5499-1 [0,2,0,0,0,0|1,0,1]=4 524 B8R1.5 C[C@@H]1CCCC[C@@H]1N O34546 [0,2,0,0,0,0|1,0,0]=3 525 B8R1.5 C[C@@H]1CCCC[C@@H]1N P46167 [0,2,0,0,0,0|1,0,0]=3 526 B8R1.5 C[C@@H]1CCCC[C@H]1N P44819 [0,2,0,0,0,0|1,0,0]=3 527 B8R1.5 C[C@@H]1CCCC[C@H]1N P44820 [0,2,0,0,0,0|1,0,0]=3 528 B8R1.5 C[C@@H]1CCCC[C@H]1N P45791 [0,2,0,0,0,0|1,0,0]=3 529 B8R1.5 C[C@@H]1CCCN[C@@H]1C P45337 [0,2,0,0,0,0|0,0,0]=2 530 B8R1.5 C[C@@H]1CCCN[C@@H]1C Q61336 [0,2,0,0,0,0|0,0,0]=2 531 B8R1.5 C[C@@H]1CCNC[C@@H]1O G-6540 [0,2,0,0,0,0|0,0,0]=2 532 B8R1.5 C[C@@H]1CCNC[C@@H]1O Q56504 [0,2,0,0,0,0|0,0,0]=2 533 B8R1.5 C[C@@H]1CCNC[C@H]1O Q56503 [0,2,0,0,0,0|0,0,0]=2 534 B8R1.5 C[C@@H]1CNCCN1C G-7636 [0,2,0,0,0,0|1,0,0]=3 535 B8R1.5 C[C@@H]1CNCCN1C L21507 [0,2,0,0,0,0|1,0,0]=3 536 B8R1.5 C[C@@H]1CNCC[C@@H]1F Q53340 [0,2,0,0,0,0|0,0,0]=2 537 B8R1.5 C[C@@H]1CNCC[C@H]1F Q53341 [0,2,0,0,0,0|0,0,0]=2 538 B8R1.5 C[C@@H]1CNCC[C@H]1O L21732 [0,2,0,0,0,0|0,0,0]=2 539 B8R1.5 C[C@@H]1CNCC[C@H]1O Q65201 [0,2,0,0,0,0|0,0,0]=2 540 B8R1.5 C[C@@H]1COCC[C@@H]1N Q52400 [0,2,0,0,0,0|1,0,0]=3 541 B8R1.5 C[C@@H]1COCC[C@H]1N O33010 [0,2,0,0,0,0|1,0,0]=3 542 B8R1.5 C[C@@H]1COCC[C@H]1N Q56430 [0,2,0,0,0,0|1,0,0]=3 543 B8R1.5 C[C@@H]1NCCC[C@@H]1O Q61250 [0,2,0,0,0,0|0,0,0]=2 544 B8R1.5 C[C@@H]1NCCC[C@H]1O Q61249 [0,2,0,0,0,0|0,0,0]=2 545 B8R1.5 C[C@@H]1NCCNC1=O O34331 [0,2,0,0,0,0|1,0,1]=4 546 B8R1.5 C[C@H]1CCCC[C@@H]1N P45803 [0,2,0,0,0,0|1,0,0]=3 547 B8R1.5 C[C@H]1CCCC[C@@H]1N P49914 [0,2,0,0,0,0|1,0,0]=3 548 B8R1.5 C[C@H]1CCCC[C@H]1N O34572 [0,2,0,0,0,0|1,0,0]=3 549 B8R1.5 C[C@H]1CCCC[C@H]1N P45166 [0,2,0,0,0,0|1,0,0]=3 550 B8R1.5 C[C@H]1CCNC[C@@H]1O G-6539 [0,2,0,0,0,0|0,0,0]=2 551 B8R1.5 C[C@H]1CNCCN1C G-7100 [0,2,0,0,0,0|1,0,0]=3 552 B8R1.5 C[C@H]1CNCCN1C L14176 [0,2,0,0,0,0|1,0,0]=3 553 B8R1.5 C[C@H]1CNCC[C@@H]1O Q65202 [0,2,0,0,0,0|0,0,0]=2 554 B8R1.5 C[C@H]1COCC[C@@H]1N G-7933 [0,2,0,0,0,0|1,0,0]=3 555 B8R1.5 C[C@H]1COCC[C@H]1N G-7268 [0,2,0,0,0,0|1,0,0]=3 556 B8R1.5 C[C@H]1COCC[C@H]1N Q52399 [0,2,0,0,0,0|1,0,0]=3 557 B8R1.5 C[C@H]1NCCC[C@@H]1O Q61135 [0,2,0,0,0,0|0,0,0]=2 558 B8R1.5 C[C@H]1NCCC[C@@H]1O Q61248 [0,2,0,0,0,0|0,0,0]=2 559 B8R1.5 C[C@H]1NCCC[C@H]1O Q61134 [0,2,0,0,0,0|0,0,0]=2 560 B8R1.5 C[C@H]1NCCC[C@H]1O Q61251 [0,2,0,0,0,0|0,0,0]=2 561 B8R1.5 C[C@H]1NCCNC1=O O34330 [0,2,0,0,0,0|1,0,1]=4 562 B8R1.5 F[C@H]1CCNC[C@@H]1F I-9645 [0,2,0,0,0,0|0,0,0]=2 563 B8R1.5 F[C@H]1CNCC[C@H]1F I-9608 [0,2,0,0,0,0|0,0,0]=2 564 B8R1.5 NC1CCCCC1=O P45934 [0,2,0,0,0,0|1,0,0]=3 565 B8R1.5 NC1CCCCC1F P50555 [0,2,0,0,0,0|1,0,0]=3 566 B8R1.5 NC1COCCC1F Q54881 [0,2,0,0,0,0|1,0,0]=3 567 B8R1.5 NN1CCCCC1=O B-1138 [0,2,0,0,0,0|0,0,1]=3 568 B8R1.5 N[C@@H]1CC=CC[C@H]1N P44680 [0,2,0,0,0,0|1,0,1]=4 569 B8R1.5 N[C@@H]1CCCC[C@@H]1F P48909 [0,2,0,0,0,0|1,0,0]=3 570 B8R1.5 N[C@@H]1CCCC[C@@H]1O P46454 [0,2,0,0,0,0|1,0,0]=3 571 B8R1.5 N[C@@H]1CCCC[C@@H]1O P49846 [0,2,0,0,0,0|1,0,0]=3 572 B8R1.5 N[C@@H]1CCCC[C@H]1F P46966 [0,2,0,0,0,0|1,0,0]=3 573 B8R1.5 N[C@@H]1CCCC[C@H]1F P49016 [0,2,0,0,0,0|1,0,0]=3 574 B8R1.5 N[C@@H]1CCCC[C@H]1N M15638 [0,2,0,0,0,0|1,0,0]=3 575 B8R1.5 N[C@@H]1CCCC[C@H]1O P48754 [0,2,0,0,0,0|1,0,0]=3 576 B8R1.5 N[C@@H]1CCCNC1=O O34375 [0,2,0,0,0,0|0,0,1]=3 577 B8R1.5 N[C@@H]1CCNC[C@@H]1O Q52229 [0,2,0,0,0,0|0,0,0]=2 578 B8R1.5 N[C@@H]1CCNC[C@@H]1O Q52230 [0,2,0,0,0,0|0,0,0]=2 579 B8R1.5 N[C@@H]1CCNC[C@H]1O Q52224 [0,2,0,0,0,0|0,0,0]=2 580 B8R1.5 N[C@@H]1CCNC[C@H]1O Q52225 [0,2,0,0,0,0|0,0,0]=2 581 B8R1.5 N[C@@H]1CCOC[C@@H]1F I-9261 [0,2,0,0,0,0|1,0,0]=3 582 B8R1.5 N[C@@H]1CCOC[C@@H]1F O32994 [0,2,0,0,0,0|1,0,0]=3 583 B8R1.5 N[C@@H]1CCOC[C@@H]1F Q52308 [0,2,0,0,0,0|1,0,0]=3 584 B8R1.5 N[C@@H]1CCOC[C@@H]1O G-6344 [0,2,0,0,0,0|1,0,0]=3 585 B8R1.5 N[C@@H]1CCOC[C@@H]1O G-7927 [0,2,0,0,0,0|1,0,0]=3 586 B8R1.5 N[C@@H]1CCOC[C@@H]1O L13461 [0,2,0,0,0,0|1,0,0]=3 587 B8R1.5 N[C@@H]1CCOC[C@@H]1O Q65031 [0,2,0,0,0,0|1,0,0]=3 588 B8R1.5 N[C@@H]1CCOC[C@H]1F I-9786 [0,2,0,0,0,0|1,0,0]=3 589 B8R1.5 N[C@@H]1CCOC[C@H]1O I-9206 [0,2,0,0,0,0|1,0,0]=3 590 B8R1.5 N[C@@H]1COCC[C@@H]1O L14613 [0,2,0,0,0,0|1,0,0]=3 591 B8R1.5 N[C@@H]1COCC[C@@H]1O Q65030 [0,2,0,0,0,0|1,0,0]=3 592 B8R1.5 N[C@@H]1COCC[C@H]1F Q65046 [0,2,0,0,0,0|1,0,0]=3 593 B8R1.5 N[C@@H]1COCC[C@H]1O G-7504 [0,2,0,0,0,0|1,0,0]=3 594 B8R1.5 N[C@@H]1COCC[C@H]1O L13647 [0,2,0,0,0,0|1,0,0]=3 595 B8R1.5 N[C@H]1CCCC[C@@H]1F P49406 [0,2,0,0,0,0|1,0,0]=3 596 B8R1.5 N[C@H]1CCCC[C@@H]1O P44501 [0,2,0,0,0,0|1,0,0]=3 597 B8R1.5 N[C@H]1CCCC[C@H]1O P45876 [0,2,0,0,0,0|1,0,0]=3 598 B8R1.5 N[C@H]1CCCC[C@H]1O P46705 [0,2,0,0,0,0|1,0,0]=3 599 B8R1.5 N[C@H]1CCCNC1=O O34462 [0,2,0,0,0,0|0,0,1]=3 600 B8R1.5 N[C@H]1CCNC[C@@H]1O Q52226 [0,2,0,0,0,0|0,0,0]=2 601 B8R1.5 N[C@H]1CCNC[C@H]1O Q52227 [0,2,0,0,0,0|0,0,0]=2 602 B8R1.5 N[C@H]1CCNC[C@H]1O Q52228 [0,2,0,0,0,0|0,0,0]=2 603 B8R1.5 N[C@H]1CCOC[C@@H]1F I-9495 [0,2,0,0,0,0|1,0,0]=3 604 B8R1.5 N[C@H]1CCOC[C@@H]1F I-9780 [0,2,0,0,0,0|1,0,0]=3 605 B8R1.5 N[C@H]1CCOC[C@@H]1O G-7267 [0,2,0,0,0,0|1,0,0]=3 606 B8R1.5 N[C@H]1CCOC[C@@H]1O I-9259 [0,2,0,0,0,0|1,0,0]=3 607 B8R1.5 N[C@H]1CCOC[C@@H]1O Q65027 [0,2,0,0,0,0|1,0,0]=3 608 B8R1.5 N[C@H]1CCOC[C@H]1F O32995 [0,2,0,0,0,0|1,0,0]=3 609 B8R1.5 N[C@H]1CCOC[C@H]1F Q52307 [0,2,0,0,0,0|1,0,0]=3 610 B8R1.5 N[C@H]1CCOC[C@H]1O L18331 [0,2,0,0,0,0|1,0,0]=3 611 B8R1.5 N[C@H]1CCOC[C@H]1O Q65032 [0,2,0,0,0,0|1,0,0]=3 612 B8R1.5 N[C@H]1COCC[C@@H]1O G-5997 [0,2,0,0,0,0|1,0,0]=3 613 B8R1.5 N[C@H]1COCC[C@@H]1O Q56271 [0,2,0,0,0,0|1,0,0]=3 614 B8R1.5 N[C@H]1COCC[C@H]1O Q65029 [0,2,0,0,0,0|1,0,0]=3 615 B8R1.5 O=C1CCCCC1Br L21639 [0,2,0,0,0,0|1,0,0]=3 616 B8R1.5 O=C1CCCCC1F P45307 [0,2,0,0,0,0|1,0,0]=3 617 B8R1.5 O=C1CCCNC1=O S72799 [0,2,0,0,0,0|0,0,2]=4 618 B8R1.5 O=C1CCNCC1Br Q52493 [0,2,0,0,0,0|0,0,1]=3 619 B8R1.5 O=C1CCNCC1F G-7340 [0,2,0,0,0,0|0,0,1]=3 620 B8R1.5 O=C1CCNCC1F Q56501 [0,2,0,0,0,0|0,0,1]=3 621 B8R1.5 O=C1CCOCC1Br C-3416 [0,2,0,0,0,0|1,0,1]=4 622 B8R1.5 O=C1CCOCC1F G-7272 [0,2,0,0,0,0|1,0,1]=4 623 B8R1.5 O=C1CCOC[C@H]1F Q52309 [0,2,0,0,0,0|1,0,1]=4 624 B8R1.5 O=C1COCCC1Br Q54651 [0,2,0,0,0,0|1,0,1]=4 625 B8R1.5 O=C1NCCCC1Br L18696 [0,2,0,0,0,0|0,0,1]=3 626 B8R1.5 O=C1NCCC[C@@H]1O P36280 [0,2,0,0,0,0|0,0,1]=3 627 B8R1.5 O=C1NCCC[C@H]1O P39619 [0,2,0,0,0,0|0,0,1]=3 628 B8R1.5 O=C1OCCCC1Br L20669 [0,2,0,0,0,0|1,0,1]=4 629 B8R1.5 OC1CCCCC1Br Q59575 [0,2,0,0,0,0|1,0,0]=3 630 B8R1.5 OC1CCOCC1F L14603 [0,2,0,0,0,0|1,0,0]=3 631 B8R1.5 OC1CCOCC1O Q54610 [0,2,0,0,0,0|1,0,0]=3 632 B8R1.5 O[C@@H]1CCNC[C@@H]1F I-9127 [0,2,0,0,0,0|0,0,0]=2 633 B8R1.5 O[C@@H]1CCNC[C@@H]1F Q56264 [0,2,0,0,0,0|0,0,0]=2 634 B8R1.5 O[C@@H]1CCNC[C@H]1F G-6837 [0,2,0,0,0,0|0,0,0]=2 635 B8R1.5 O[C@@H]1CCNC[C@H]1F Q56265 [0,2,0,0,0,0|0,0,0]=2 636 B8R1.5 O[C@@H]1CCOC[C@@H]1F O33072 [0,2,0,0,0,0|1,0,0]=3 637 B8R1.5 O[C@@H]1CCOC[C@H]1F Q64491 [0,2,0,0,0,0|1,0,0]=3 638 B8R1.5 O[C@@H]1CCOC[C@H]1O Q62887 [0,2,0,0,0,0|1,0,0]=3 639 B8R1.5 O[C@@H]1CNCC[C@H]1F G-6836 [0,2,0,0,0,0|0,0,0]=2 640 B8R1.5 O[C@@H]1CNCC[C@H]1F L13235 [0,2,0,0,0,0|0,0,0]=2 641 B8R1.5 O[C@H]1CCNC[C@@H]1F L13157 [0,2,0,0,0,0|0,0,0]=2 642 B8R1.5 O[C@H]1CCNC[C@@H]1O H-8035 [0,2,0,0,0,0|0,0,0]=2 643 B8R1.5 O[C@H]1CCNC[C@@H]1O O33528 [0,2,0,0,0,0|0,0,0]=2 644 B8R1.5 O[C@H]1CCNC[C@H]1F G-5703 [0,2,0,0,0,0|0,0,0]=2 645 B8R1.5 O[C@H]1CCNC[C@H]1F Q52346 [0,2,0,0,0,0|0,0,0]=2 646 B8R1.5 O[C@H]1CCNC[C@H]1O Q59861 [0,2,0,0,0,0|0,0,0]=2 647 B8R1.5 O[C@H]1CCOC[C@@H]1F P48147 [0,2,0,0,0,0|1,0,0]=3 648 B8R1.5 O[C@H]1CCOC[C@@H]1F Q64492 [0,2,0,0,0,0|1,0,0]=3 649 B8R1.5 O[C@H]1CCOC[C@H]1F L22048 [0,2,0,0,0,0|1,0,0]=3 650 B8R1.5 O[C@H]1CCOC[C@H]1F O33074 [0,2,0,0,0,0|1,0,0]=3 651 B8R1.5 O[C@H]1CNCC[C@H]1F Q52403 [0,2,0,0,0,0|0,0,0]=2 652 B8R1.5 O[C@H]1CNCC[C@H]1F Q65042 [0,2,0,0,0,0|0,0,0]=2 653 B8R1.5 O[C@H]1CNCC[C@H]1O G-6972 [0,2,0,0,0,0|0,0,0]=2 654 B8R1.5 O[C@H]1CNCC[C@H]1O Q59948 [0,2,0,0,0,0|0,0,0]=2 655 B8R1.5 [C@@H]1(O)COCC[C@H]1N Q65028 [0,2,0,0,0,0|1,0,0]=3 656 B8R1.72 CC1(C)CCCCN1 Q52541 [0,2,0,0,0,0|0,0,0]=2 657 B8R1.72 CC1(C)CCNCC1 C-3355 [0,2,0,0,0,0|0,0,0]=2 658 B8R1.72 CC1(C)CNCCN1 D-2719 [0,2,0,0,0,0|1,0,0]=3 659 B8R1.72 CC1(C)CNCCO1 H-8786 [0,2,0,0,0,0|1,0,0]=3 660 B8R1.72 CC1(C)CNCCO1 L14122 [0,2,0,0,0,0|1,0,0]=3 661 B8R1.72 CC1(C)COCCN1 H-8787 [0,2,0,0,0,0|1,0,0]=3 662 B8R1.72 CC1(C)COCCN1 O28306 [0,2,0,0,0,0|1,0,0]=3 663 B8R1.72 CC1(F)CCCNC1 Q54394 [0,2,0,0,0,0|0,0,0]=2 664 B8R1.72 CC1(F)CCNCC1 Q54423 [0,2,0,0,0,0|0,0,0]=2 665 B8R1.72 CC1(N)CCCOC1 H-8277 [0,2,0,0,0,0|1,0,0]=3 666 B8R1.72 CC1(N)CCCOC1 H-8277-1 [0,2,0,0,0,0|1,0,0]=3 667 B8R1.72 CC1(N)CCOCC1 G-6788 [0,2,0,0,0,0|1,0,0]=3 668 B8R1.72 CC1(N)CCOCC1 Q51895 [0,2,0,0,0,0|1,0,0]=3 669 B8R1.72 CC1(N)CCSCC1 Q61458 [0,2,0,0,0,0|1,0,0]=3 670 B8R1.72 CC1(O)CCCNC1 A-831 [0,2,0,0,0,0|0,0,0]=2 671 B8R1.72 CC1(O)CCCNC1 M22629 [0,2,0,0,0,0|0,0,0]=2 672 B8R1.72 CC1(O)CCCOC1 Q65022 [0,2,0,0,0,0|1,0,0]=3 673 B8R1.72 CC1(O)CCNCC1 A-829 [0,2,0,0,0,0|0,0,0]=2 674 B8R1.72 CC1(O)CCOCC1 P36263 [0,2,0,0,0,0|1,0,0]=3 675 B8R1.72 C[C@@]1(O)CCCNC1 Q65190 [0,2,0,0,0,0|0,0,0]=2 676 B8R1.72 C[C@]1(O)CCCNC1 P44137 [0,2,0,0,0,0|0,0,0]=2 677 B8R1.72 C[Si]1(C)CCNCC1 L21960 [0,2,0,0,0,0|0,1,0]=3 678 B8R1.72 FC1(F)CCCNC1 C-2253 [0,2,0,0,0,0|0,0,0]=2 679 B8R1.72 FC1(F)CCNCC1 C-3220 [0,2,0,0,0,0|0,0,0]=2 680 B8R1.72 N=S1(=O)CCNCC1 Q69962 [0,2,0,0,0,0|1,0,0]=3 681 B8R1.72 O=S1(=O)CCNCC1 G-5351 [0,2,0,0,0,0|1,0,0]=3 682 B6R1.3 BrCCC1CC1 O33551 [0,0,1,1,0,0|1,0,0]=3 683 B6R1.3 BrCC[C@H]1CO1 P51572 [0,0,1,1,0,0|2,0,0]=4 684 B6R1.3 CCNC1CC1 P36705 [0,0,1,1,0,0|0,0,0]=2 685 B6R1.3 CNCC1CC1 L13551 [0,0,1,1,0,0|0,0,0]=2 686 B6R1.3 ICCC1CC1 I-9916 [0,0,1,1,0,0|1,0,0]=3 687 B6R1.3 N#CCC1CC1 O33326 [0,0,1,1,0,0|0,0,2]=4 688 B6R1.3 NCCC1CC1 G-5988 [0,0,1,1,0,0|0,0,0]=2 689 B6R1.3 NCCN1CC1 P45652 [0,0,1,1,0,0|1,0,0]=3 690 B6R1.3 NNCC1CC1 H-8575 [0,0,1,1,0,0|1,0,0]=3 691 B6R1.3 NNCC1CC1 I-9542 [0,0,1,1,0,0|1,0,0]=3 692 B6R1.3 NNCC1CC1 K12084 [0,0,1,1,0,0|1,0,0]=3 693 B6R1.3 NNCC1CC1 L13728 [0,0,1,1,0,0|1,0,0]=3 694 B6R1.3 OCCC1CC1 G-5984 [0,0,1,1,0,0|1,0,0]=3 695 B6R1.4 CC1CCC1=O P47956 [0,0,1,1,0,0|1,0,1]=4 696 B6R1.4 CC1CCC1N P44937 [0,0,1,1,0,0|0,0,0]=2 697 B6R1.4 CC1CCC1N P47065 [0,0,1,1,0,0|0,0,0]=2 698 B6R1.4 CC1CCC1O L20058 [0,0,1,1,0,0|1,0,0]=3 699 B6R1.4 CC1CNC1C P45190 [0,0,1,1,0,0|0,0,0]=2 700 B6R1.4 CC1CNC1C P46961 [0,0,1,1,0,0|0,0,0]=2 701 B6R1.4 CC1NCC1F P47439 [0,0,1,1,0,0|1,0,0]=3 702 B6R1.4 CC1NCC1F P47451 [0,0,1,1,0,0|1,0,0]=3 703 B6R1.4 CC1NCC1O P44849 [0,0,1,1,0,0|1,0,0]=3 704 B6R1.4 CC1NCC1O P44851 [0,0,1,1,0,0|1,0,0]=3 705 B6R1.4 CC1OCC1Br Q56171 [0,0,1,1,0,0|2,0,0]=4 706 B6R1.4 CC1OCC1I Q56172 [0,0,1,1,0,0|2,0,0]=4 707 B6R1.4 CC1OCC1N Q56170 [0,0,1,1,0,0|1,0,0]=3 708 B6R1.4 CC1OCC1O L18037 [0,0,1,1,0,0|2,0,0]=4 709 B6R1.4 C[C@@H]1NCC1F P50109 [0,0,1,1,0,0|1,0,0]=3 710 B6R1.4 C[C@@H]1NCC1O P47321 [0,0,1,1,0,0|1,0,0]=3 711 B6R1.4 C[C@@H]1NC[C@@H]1F P50877 [0,0,1,1,0,0|1,0,0]=3 712 B6R1.4 C[C@@H]1NC[C@@H]1F P50878 [0,0,1,1,0,0|1,0,0]=3 713 B6R1.4 C[C@@H]1NC[C@@H]1O P46638 [0,0,1,1,0,0|1,0,0]=3 714 B6R1.4 C[C@@H]1NC[C@@H]1O P48644 [0,0,1,1,0,0|1,0,0]=3 715 B6R1.4 C[C@@H]1NC[C@@H]1O P48652 [0,0,1,1,0,0|1,0,0]=3 716 B6R1.4 C[C@@H]1NC[C@@H]1O P50879 [0,0,1,1,0,0|1,0,0]=3 717 B6R1.4 C[C@@H]1NC[C@H]1F P50880 [0,0,1,1,0,0|1,0,0]=3 718 B6R1.4 C[C@@H]1NC[C@H]1F P50881 [0,0,1,1,0,0|1,0,0]=3 719 B6R1.4 C[C@@H]1NC[C@H]1O P46945 [0,0,1,1,0,0|1,0,0]=3 720 B6R1.4 C[C@@H]1NC[C@H]1O P48643 [0,0,1,1,0,0|1,0,0]=3 721 B6R1.4 C[C@@H]1NC[C@H]1O P48651 [0,0,1,1,0,0|1,0,0]=3 722 B6R1.4 C[C@@H]1OC[C@H]1O Q56119 [0,0,1,1,0,0|2,0,0]=4 723 B6R1.4 C[C@H]1NCC1F P50084 [0,0,1,1,0,0|1,0,0]=3 724 B6R1.4 C[C@H]1NCC1O P50087 [0,0,1,1,0,0|1,0,0]=3 725 B6R1.4 C[C@H]1NC[C@@H]1F P50079 [0,0,1,1,0,0|1,0,0]=3 726 B6R1.4 C[C@H]1NC[C@@H]1O P50080 [0,0,1,1,0,0|1,0,0]=3 727 B6R1.4 C[C@H]1NC[C@H]1F P50081 [0,0,1,1,0,0|1,0,0]=3 728 B6R1.4 C[C@H]1NC[C@H]1O P50082 [0,0,1,1,0,0|1,0,0]=3 729 B6R1.4 C[C@H]1NC[C@H]1O P50119 [0,0,1,1,0,0|1,0,0]=3 730 B6R1.4 C[C@H]1OC[C@H]1O Q56118 [0,0,1,1,0,0|2,0,0]=4 731 B6R1.4 NC1CCC1F P47239 [0,0,1,1,0,0|1,0,0]=3 732 B6R1.4 NC1CCC1F Q56123 [0,0,1,1,0,0|1,0,0]=3 733 B6R1.4 NC1CCC1O P45290 [0,0,1,1,0,0|1,0,0]=3 734 B6R1.4 NC1CCC1O P48134 [0,0,1,1,0,0|1,0,0]=3 735 B6R1.4 N[C@@H]1CC[C@@H]1O P43811 [0,0,1,1,0,0|1,0,0]=3 736 B6R1.4 N[C@@H]1CC[C@@H]1O P45279 [0,0,1,1,0,0|1,0,0]=3 737 B6R1.4 N[C@@H]1CC[C@@H]1O P45323 [0,0,1,1,0,0|1,0,0]=3 738 B6R1.4 N[C@@H]1CC[C@H]1O P45283 [0,0,1,1,0,0|1,0,0]=3 739 B6R1.4 N[C@@H]1CC[C@H]1O P46699 [0,0,1,1,0,0|1,0,0]=3 740 B6R1.4 N[C@@H]1CC[C@H]1O P46700 [0,0,1,1,0,0|1,0,0]=3 741 B6R1.4 N[C@@H]1CC[C@H]1O P47798 [0,0,1,1,0,0|1,0,0]=3 742 B6R1.4 N[C@H]1CC[C@@H]1O O33030 [0,0,1,1,0,0|1,0,0]=3 743 B6R1.4 N[C@H]1CC[C@@H]1O P46969 [0,0,1,1,0,0|1,0,0]=3 744 B6R1.4 N[C@H]1CC[C@H]1O P45237 [0,0,1,1,0,0|1,0,0]=3 745 B6R1.4 N[C@H]1CC[C@H]1O P46397 [0,0,1,1,0,0|1,0,0]=3 746 B6R1.4 OC1CCC1F P46352 [0,0,1,1,0,0|2,0,0]=4 747 B6R1.4 OC1CCC1O P50009 [0,0,1,1,0,0|2,0,0]=4 748 B6R1.4 O[C@@H]1CC[C@H]1O P45708 [0,0,1,1,0,0|2,0,0]=4 749 B6R1.4 O[C@H]1CC[C@H]1O P45709 [0,0,1,1,0,0|2,0,0]=4 750 B6R1.6 BrCC1CCO1 F-4066 [0,0,1,1,0,0|2,0,0]=4 751 B6R1.6 BrCC1CNC1 P50070 [0,0,1,1,0,0|1,0,0]=3 752 B6R1.6 BrCC1COC1 L21563 [0,0,1,1,0,0|2,0,0]=4 753 B6R1.6 C#CC1CCC1 P45543 [0,0,1,1,0,0|1,0,1]=4 754 B6R1.6 C#CC1CNC1 L21439 [0,0,1,1,0,0|0,0,2]=4 755 B6R1.6 CCC1CCN1 P47056 [0,0,1,1,0,0|0,0,0]=2 756 B6R1.6 CCC1CCN1 P48764 [0,0,1,1,0,0|0,0,0]=2 757 B6R1.6 CCC1CNC1 P45196 [0,0,1,1,0,0|0,0,0]=2 758 B6R1.6 CCC1CNC1 P47098 [0,0,1,1,0,0|0,0,0]=2 759 B6R1.6 CNC1CCC1 O34360 [0,0,1,1,0,0|0,0,0]=2 760 B6R1.6 CNC1CCC1 P45733 [0,0,1,1,0,0|0,0,0]=2 761 B6R1.6 CNC1CNC1 M22665 [0,0,1,1,0,0|1,0,0]=3 762 B6R1.6 CNC1CNC1 P45899 [0,0,1,1,0,0|1,0,0]=3 763 B6R1.6 CNC1COC1 C-2465 [0,0,1,1,0,0|1,0,0]=3 764 B6R1.6 COC1CNC1 D-2560 [0,0,1,1,0,0|1,0,0]=3 765 B6R1.6 COC1CNC1 P44584 [0,0,1,1,0,0|1,0,0]=3 766 B6R1.6 CSC1CNC1 C-2301 [0,0,1,1,0,0|1,0,0]=3 767 B6R1.6 CSC1CNC1 L13623 [0,0,1,1,0,0|1,0,0]=3 768 B6R1.6 ClCC1CCC1 M23070 [0,0,1,1,0,0|1,0,0]=3 769 B6R1.6 ClCC1CNC1 P50271 [0,0,1,1,0,0|1,0,0]=3 770 B6R1.6 ClCC1COC1 P45001 [0,0,1,1,0,0|2,0,0]=4 771 B6R1.6 FCC1CCN1 P47490 [0,0,1,1,0,0|1,0,0]=3 772 B6R1.6 FCC1CNC1 O32400 [0,0,1,1,0,0|1,0,0]=3 773 B6R1.6 FCC1CNC1 O32401 [0,0,1,1,0,0|1,0,0]=3 774 B6R1.6 FC[C@@H]1CCN1 P45171 [0,0,1,1,0,0|1,0,0]=3 775 B6R1.6 FC[C@H]1CCN1 P47579 [0,0,1,1,0,0|1,0,0]=3 776 B6R1.6 ICC1CCC1 H-8778 [0,0,1,1,0,0|1,0,0]=3 777 B6R1.6 ICC1CCO1 G-7249 [0,0,1,1,0,0|2,0,0]=4 778 B6R1.6 ICC1COC1 G-5215 [0,0,1,1,0,0|2,0,0]=4 779 B6R1.6 N#CC1CCC1 G-7033 [0,0,1,1,0,0|0,0,2]=4 780 B6R1.6 N#CC1CCN1 P45204 [0,0,1,1,0,0|1,0,1]=4 781 B6R1.6 N#CC1CCN1 P46449 [0,0,1,1,0,0|1,0,1]=4 782 B6R1.6 N#CC1CNC1 C-3276 [0,0,1,1,0,0|1,0,1]=4 783 B6R1.6 N#CC1CNC1 P45269 [0,0,1,1,0,0|1,0,1]=4 784 B6R1.6 N#C[C@@H]1CCN1 L14917 [0,0,1,1,0,0|1,0,1]=4 785 B6R1.6 N#C[C@@H]1CCN1 P47568 [0,0,1,1,0,0|1,0,1]=4 786 B6R1.6 N#C[C@H]1CCN1 P45978 [0,0,1,1,0,0|1,0,1]=4 787 B6R1.6 N#C[C@H]1CCN1 P47634 [0,0,1,1,0,0|1,0,1]=4 788 B6R1.6 NCC1CCC1 C-2308 [0,0,1,1,0,0|0,0,0]=2 789 B6R1.6 NCC1CCC1 L13986 [0,0,1,1,0,0|0,0,0]=2 790 B6R1.6 NCC1CCN1 G-5892 [0,0,1,1,0,0|1,0,0]=3 791 B6R1.6 NCC1CCN1 P49927 [0,0,1,1,0,0|1,0,0]=3 792 B6R1.6 NCC1CCO1 F-4044 [0,0,1,1,0,0|1,0,0]=3 793 B6R1.6 NCC1CCS1 Q58811 [0,0,1,1,0,0|1,0,0]=3 794 B6R1.6 NCC1CNC1 P39611 [0,0,1,1,0,0|1,0,0]=3 795 B6R1.6 NCC1CNC1 P49682 [0,0,1,1,0,0|1,0,0]=3 796 B6R1.6 NCC1COC1 C-2244 [0,0,1,1,0,0|1,0,0]=3 797 B6R1.6 NCC1COC1 L21567 [0,0,1,1,0,0|1,0,0]=3 798 B6R1.6 NCC1CSC1 G-7410 [0,0,1,1,0,0|1,0,0]=3 799 B6R1.6 NCC1CSC1 H-8020 [0,0,1,1,0,0|1,0,0]=3 800 B6R1.6 NC[C@@H]1CCO1 Q56226 [0,0,1,1,0,0|1,0,0]=3 801 B6R1.6 NC[C@H]1CCO1 Q64388 [0,0,1,1,0,0|1,0,0]=3 802 B6R1.6 NNC1CCC1 O30528 [0,0,1,1,0,0|1,0,0]=3 803 B6R1.6 NNC1CCC1 O31125 [0,0,1,1,0,0|1,0,0]=3 804 B6R1.6 NNC1CCC1 P44553 [0,0,1,1,0,0|1,0,0]=3 805 B6R1.6 NNC1CNC1 O29510 [0,0,1,1,0,0|2,0,0]=4 806 B6R1.6 NNC1CSC1 O30925 [0,0,1,1,0,0|2,0,0]=4 807 B6R1.6 NNC1CSC1 Q59094 [0,0,1,1,0,0|2,0,0]=4 808 B6R1.6 NOC1COC1 Q52188 [0,0,1,1,0,0|2,0,0]=4 809 B6R1.6 OCC1CCN1 G-7151 [0,0,1,1,0,0|1,0,0]=3 810 B6R1.6 OCC1CCO1 F-4043 [0,0,1,1,0,0|2,0,0]=4 811 B6R1.6 OCC1CNC1 A-421 [0,0,1,1,0,0|1,0,0]=3 812 B6R1.6 OCC1CNC1 L14018 [0,0,1,1,0,0|1,0,0]=3 813 B6R1.6 OCC1COC1 C-2291 [0,0,1,1,0,0|2,0,0]=4 814 B6R1.6 OCC1CSC1 H-8021 [0,0,1,1,0,0|2,0,0]=4 815 B6R1.6 OC[C@@H]1CCN1 B-1106 [0,0,1,1,0,0|1,0,0]=3 816 B6R1.6 OC[C@@H]1CCN1 P36030 [0,0,1,1,0,0|1,0,0]=3 817 B6R1.6 OC[C@@H]1CCO1 Q56225 [0,0,1,1,0,0|2,0,0]=4 818 B6R1.6 OC[C@H]1CCN1 B-1105 [0,0,1,1,0,0|1,0,0]=3 819 B6R1.6 OC[C@H]1CCN1 P35007 [0,0,1,1,0,0|1,0,0]=3 820 B6R1.6 OC[C@H]1CCO1 Q53294 [0,0,1,1,0,0|2,0,0]=4 821 B6R1.6 SCC1CNC1 P46721 [0,0,1,1,0,0|1,0,0]=3 822 B6R1.8 C[C@H]1C[C@H]1CO P43750 [0,0,1,1,0,0|1,0,0]=3 823 B6R2.4 C1CC2OC12 Q57471 [0,0,0,1,1,0|1,0,0]=3 824 B6R2.4 C1NC2CC12 Q58520 [0,0,0,1,1,0|0,0,0]=2 825 B8R2.22 C1=CC2NCC2C1 Q54796 [0,0,0,1,0,1|0,0,1]=3 826 B8R2.22 C1CC2CNC2C1 Q52162 [0,0,0,1,0,1|0,0,0]=2 827 B8R2.22 C1CC2CNCC12 G-7390 [0,0,0,1,0,1|0,0,0]=2 828 B8R2.22 C1CC2CNCC12 Q56567 [0,0,0,1,0,1|0,0,0]=2 829 B8R2.22 C1NC2COCC12 Q56927 [0,0,0,1,0,1|0,0,0]=2 830 B8R2.25 C1CC2OC2CO1 L14578 [0,0,0,1,0,1|1,0,0]=3 831 B8R2.25 C1CCC2NC2C1 Q58068 [0,0,0,1,0,1|0,0,0]=2 832 B8R2.25 C1CNC2CC2C1 Q57310 [0,0,0,1,0,1|0,0,0]=2 833 B8R2.25 C1CNC2CC2N1 O33195 [0,0,0,1,0,1|0,0,0]=2 834 B8R2.25 C1CN[C@H]2C[C@H]2C1 Q58108 [0,0,0,1,0,1|0,0,0]=2 835 B8R2.25 C1COC2CC2N1 Q57311 [0,0,0,1,0,1|0,0,0]=2 836 B8R2.25 C1COC2CC2N1 Q57312 [0,0,0,1,0,1|0,0,0]=2 837 B8R2.2 FC12CNCC1C2 Q63903 [0,1,0,1,0,0|0,0,0]=2 838 B8R2.2 NC12COCC1C2 Q56929 [0,1,0,1,0,0|1,0,0]=3 839 B8R2.2 OC12CNCC1C2 Q63904 [0,1,0,1,0,0|0,0,0]=2 840 B8R2.2 OC12CNCC1C2 Q63905 [0,1,0,1,0,0|0,0,0]=2 841 B8R2.11 FC1C2CNCC12 Q54401 [0,1,0,1,0,0|0,0,0]=2 842 B8R2.11 NC1C2CCOC12 Q64151 [0,1,0,1,0,0|1,0,0]=3 843 B8R2.11 NC1C2CNCC12 L20026 [0,1,0,1,0,0|0,0,0]=2 844 B8R2.11 NC1C2COCC12 F-4873 [0,1,0,1,0,0|1,0,0]=3 845 B8R2.11 NC1C2COCC12 Q59465 [0,1,0,1,0,0|1,0,0]=3 846 B8R2.11 OC1C2CNCC12 G-7140 [0,1,0,1,0,0|0,0,0]=2 847 B8R2.11 OC1C2CNCC12 Q64221 [0,1,0,1,0,0|0,0,0]=2 848 B8R2.11 [C@@H]12CNC[C@@H]1[C@H]2O Q56282 [0,1,0,1,0,0|0,0,0]=2 849 B8R2.11 [C@H]12COC[C@H]1[C@@H]2N L14585 [0,1,0,1,0,0|1,0,0]=3 850 B8R2.11 [C@H]12COC[C@H]1[C@@H]2N Q52150 [0,1,0,1,0,0|1,0,0]=3 851 B8R2.18 NC1CC2CC2C1 F-4590 [0,1,0,1,0,0|1,0,0]=3 852 B8R2.18 NC1CC2CC2C1 L22469 [0,1,0,1,0,0|1,0,0]=3 853 B8R2.18 N[C@H]1C[C@@H]2C[C@@H]2C1 Q55517 [0,1,0,1,0,0|1,0,0]=3 854 B8R2.18 OC1CC2CC2C1 P44932 [0,1,0,1,0,0|1,0,0]=3 855 B8R2.18 O[C@H]1C[C@@H]2C[C@@H]2C1 Q55704 [0,1,0,1,0,0|1,0,0]=3 856 B8R2.23 C1NCC2CC1C2 G-6134 [0,1,0,1,0,0|0,0,0]=2 857 B8R2.23 C1NCC2CC1C2 P43854 [0,1,0,1,0,0|0,0,0]=2 858 B8R2.23 C1NCC2CC1N2 P45630 [0,1,0,1,0,0|0,0,0]=2 859 B8R2.23 C1NCC2CC1O2 G-6636 [0,1,0,1,0,0|0,0,0]=2 860 B8R2.23 C1NCC2CC1O2 L13316 [0,1,0,1,0,0|0,0,0]=2 861 B8R2.23 C1OCC2CC1N2 L13890 [0,1,0,1,0,0|1,0,0]=3 862 B8R2.23 C1OCC2CC1N2 P45822 [0,1,0,1,0,0|1,0,0]=3 863 B8R2.23 C1SCC2CC1N2 P47949 [0,1,0,1,0,0|1,0,0]=3 864 B8R2.34 C1=CC2CC1CN2 L14078 [0,1,0,1,0,0|0,0,2]=4 865 B8R2.34 C1=CC2CC1CN2 P45340 [0,1,0,1,0,0|0,0,2]=4 866 B8R2.34 C1CC2CC1CN2 L21596 [0,1,0,1,0,0|0,0,0]=2 867 B8R2.34 C1CC2CC1CN2 P45371 [0,1,0,1,0,0|0,0,0]=2 868 B8R2.34 C1CC2CCC1N2 C-3483 [0,1,0,1,0,0|1,0,0]=3 869 B8R2.34 C1CC2CCC1N2 G-7486 [0,1,0,1,0,0|1,0,0]=3 870 B8R2.34 C1C[C@@H]2C[C@H]1CN2 Q53432 [0,1,0,1,0,0|0,0,0]=2 871 B8R2.34 C1C[C@@H]2C[C@H]1CN2 Q53433 [0,1,0,1,0,0|0,0,0]=2 872 B8R2.34 C1C[C@H]2CN[C@@H]1C2 Q53434 [0,1,0,1,0,0|0,0,0]=2 873 B8R2.34 C1C[C@H]2CN[C@@H]1C2 Q53435 [0,1,0,1,0,0|0,0,0]=2 874 B8R2.34 C1N[C@@H]2CN[C@H]1C2 P45510 [0,1,0,1,0,0|1,0,0]=3 875 B8R2.34 C1N[C@@H]2CN[C@H]1C2 P48802 [0,1,0,1,0,0|1,0,0]=3 876 B8R2.34 C1N[C@@H]2CN[C@H]1C2 P48808 [0,1,0,1,0,0|1,0,0]=3 877 B8R2.34 C1OC2CNC1C2 F-4204 [0,1,0,1,0,0|1,0,0]=3 878 B8R2.34 C1OC2CNC1C2 I-9390 [0,1,0,1,0,0|1,0,0]=3 879 B8R2.34 C1OC2CNC1C2 P44410 [0,1,0,1,0,0|1,0,0]=3 880 B8R2.34 C1O[C@@H]2CN[C@H]1C2 L21617 [0,1,0,1,0,0|1,0,0]=3 881 B8R2.34 C1O[C@H]2CN[C@@H]1C2 I-9936 [0,1,0,1,0,0|1,0,0]=3 882 B8R2.34 C1SC2CNC1C2 L20964 [0,1,0,1,0,0|1,0,0]=3 883 B8R2.34 C1S[C@@H]2CN[C@H]1C2 P49104 [0,1,0,1,0,0|1,0,0]=3 884 B8R2.34 C1S[C@@H]2CN[C@H]1C2 P49118 [0,1,0,1,0,0|1,0,0]=3 885 B8R2.34 C1S[C@H]2CN[C@@H]1C2 P46737 [0,1,0,1,0,0|1,0,0]=3 886 B8R2.34 [C@@H]12CO[C@@H](CN1)C2 F-4070 [0,1,0,1,0,0|1,0,0]=3 887 B8R2.34 [C@@H]12CO[C@@H](CN1)C2 I-9586 [0,1,0,1,0,0|1,0,0]=3 888 B8R2.34 [C@H]12CO[C@H](CN1)C2 G-6560 [0,1,0,1,0,0|1,0,0]=3 889 B8R2.34 [C@H]12CO[C@H](CN1)C2 G-6560-1 [0,1,0,1,0,0|1,0,0]=3 890 B8R2.38 NC1CCC2CC12 Q56246 [0,1,0,1,0,0|1,0,0]=3 891 B8R2.38 NC1CCC2CC12 Q56247 [0,1,0,1,0,0|1,0,0]=3 892 B8R2.38 O=C1CC[C@@H]2C[C@H]12 Q52888 [0,1,0,1,0,0|1,0,0]=3 893 B8R2.38 O=C1CC[C@H]2C[C@@H]12 Q52887 [0,1,0,1,0,0|1,0,0]=3 894 B8R2.38 O=C1CNC2CC12 H-8711 [0,1,0,1,0,0|0,0,1]=3 895 B8R2.38 O=C1NCC2CC12 Q61923 [0,1,0,1,0,0|0,0,1]=3 896 B4R1.1 C1CNC1 C-3559 [0,0,0,0,2,0|0,0,0]=2 897 B8R1.49 C1=CCCC=CCC1 L13664 [0,0,0,0,0,2|1,0,1]=4