0 B5R1.1 C1CSCO1 P51538 [0,0,0,0,0,0|2,0,0]=2 1 B6R1.2 BrC1CCOC1 C-3309 [0,1,0,0,0,0|1,0,0]=2 2 B6R1.2 CC1CCCN1 Q61737 [0,1,0,0,0,0|0,0,0]=1 3 B6R1.2 CC1CCNC1 M22664 [0,1,0,0,0,0|0,0,0]=1 4 B6R1.2 CN1CC=CC1 Q61507 [0,1,0,0,0,0|0,0,2]=3 5 B6R1.2 C[C@@H]1CCCN1 L14631 [0,1,0,0,0,0|0,0,0]=1 6 B6R1.2 C[C@@H]1CCNC1 L13628 [0,1,0,0,0,0|0,0,0]=1 7 B6R1.2 C[C@H]1CCNC1 L14084 [0,1,0,0,0,0|0,0,0]=1 8 B6R1.2 ClC1CCNC1 P42791 [0,1,0,0,0,0|0,0,0]=1 9 B6R1.2 FC1=CCNC1 Q63558 [0,1,0,0,0,0|0,0,2]=3 10 B6R1.2 FC1CCNC1 A-349 [0,1,0,0,0,0|0,0,0]=1 11 B6R1.2 FC1CCNC1 C-2208 [0,1,0,0,0,0|0,0,0]=1 12 B6R1.2 FC1CCNC1 P51370 [0,1,0,0,0,0|0,0,0]=1 13 B6R1.2 F[C@@H]1CCNC1 O33274 [0,1,0,0,0,0|0,0,0]=1 14 B6R1.2 F[C@H]1CCNC1 A-348 [0,1,0,0,0,0|0,0,0]=1 15 B6R1.2 F[C@H]1CCNC1 L22005 [0,1,0,0,0,0|0,0,0]=1 16 B6R1.2 IC1=COCC1 Q53484 [0,1,0,0,0,0|1,0,2]=4 17 B6R1.2 IC1CCCC1 I-9679 [0,1,0,0,0,0|1,0,0]=2 18 B6R1.2 IC1CCOC1 C-3308 [0,1,0,0,0,0|1,0,0]=2 19 B6R1.2 I[C@@H]1CCOC1 G-5348 [0,1,0,0,0,0|1,0,0]=2 20 B6R1.2 I[C@H]1CCOC1 G-5349 [0,1,0,0,0,0|1,0,0]=2 21 B6R1.2 NC1CC=CC1 F-4367 [0,1,0,0,0,0|1,0,1]=3 22 B6R1.2 NC1CC=CC1 Q57040 [0,1,0,0,0,0|1,0,1]=3 23 B6R1.2 NC1CCOC1 B-1171 [0,1,0,0,0,0|1,0,0]=2 24 B6R1.2 NC1CCOC1 P39935 [0,1,0,0,0,0|1,0,0]=2 25 B6R1.2 NN1CCCC1 M23462 [0,1,0,0,0,0|0,0,0]=1 26 B6R1.2 N[C@@H]1CCOC1 F-4072 [0,1,0,0,0,0|1,0,0]=2 27 B6R1.2 N[C@@H]1CCOC1 G-5144 [0,1,0,0,0,0|1,0,0]=2 28 B6R1.2 N[C@H]1CCOC1 F-4071 [0,1,0,0,0,0|1,0,0]=2 29 B6R1.2 N[C@H]1CCOC1 G-5145 [0,1,0,0,0,0|1,0,0]=2 30 B6R1.2 O=C1CCNC1 C-2247 [0,1,0,0,0,0|0,0,1]=2 31 B6R1.2 O=C1CCNC1 S72535 [0,1,0,0,0,0|0,0,1]=2 32 B6R1.2 O=C1CCOC1 B-1767 [0,1,0,0,0,0|1,0,1]=3 33 B6R1.2 O=C1CCSC1 G-7753 [0,1,0,0,0,0|1,0,1]=3 34 B6R1.2 OC1C=CCC1 Q62924 [0,1,0,0,0,0|1,0,1]=3 35 B6R1.2 OC1CCNC1 G-5959 [0,1,0,0,0,0|0,0,0]=1 36 B6R1.2 OC1CCNC1 I-9548 [0,1,0,0,0,0|0,0,0]=1 37 B6R1.2 OC1CCOC1 C-3328 [0,1,0,0,0,0|1,0,0]=2 38 B6R1.2 O[C@@H]1CCOC1 G-5347 [0,1,0,0,0,0|1,0,0]=2 39 B6R1.2 O[C@H]1CCOC1 G-6766 [0,1,0,0,0,0|1,0,0]=2 40 B6R1.2 S=C1NCCO1 O31137 [0,1,0,0,0,0|1,0,1]=3 41 B4R0.2 C#CCCI P38108 [0,0,1,0,0,0|1,0,2]=4 42 B4R0.2 C#CCCN O34440 [0,0,1,0,0,0|0,0,2]=3 43 B4R0.2 C#CCNC P38619 [0,0,1,0,0,0|0,0,2]=3 44 B4R0.2 C#COCC P35055 [0,0,1,0,0,0|1,0,2]=4 45 B4R0.2 C=CCCN L22153 [0,0,1,0,0,0|0,0,2]=3 46 B4R0.2 C=CCNN O31326 [0,0,1,0,0,0|1,0,2]=4 47 B4R0.2 CC#CCBr P38739 [0,0,1,0,0,0|1,0,2]=4 48 B4R0.2 CCCNN O30752 [0,0,1,0,0,0|1,0,0]=2 49 B4R0.2 CNCCBr O34465 [0,0,1,0,0,0|1,0,0]=2 50 B4R0.2 COCC=O F-4461 [0,0,1,0,0,0|2,0,1]=4 51 B4R0.2 COCCI O28025 [0,0,1,0,0,0|2,0,0]=3 52 B4R0.2 CSCCBr O31085 [0,0,1,0,0,0|2,0,0]=3 53 B4R0.2 CSCCN P36563 [0,0,1,0,0,0|1,0,0]=2 54 B4R0.2 NCCCS A-986 [0,0,1,0,0,0|1,0,0]=2 55 B4R0.2 NCCCS M15465 [0,0,1,0,0,0|1,0,0]=2 56 B6R2.4 C1CC2OC12 Q57471 [0,0,0,1,0,0|1,0,0]=2 57 B6R2.4 C1NC2CC12 Q58520 [0,0,0,1,0,0|0,0,0]=1 58 B4R1.1 C1CNC1 C-3559 [0,0,0,0,1,0|0,0,0]=1 59 B6R1.1 C1=CCNCC1 C-2421 [0,0,0,0,0,1|0,0,1]=2 60 B6R1.1 C1=CCOCC1 G-7030 [0,0,0,0,0,1|1,0,1]=3 61 B3R0.1 CCNN H-8579 [1,0,1,0,0,0|1,0,0]=3 62 B3R0.1 CCNN O31940 [1,0,1,0,0,0|1,0,0]=3 63 B5R0.1 C=C(C)CON P51484 [0,1,1,0,0,0|1,0,1]=4 64 B5R0.1 CC(N)CCO P39048 [0,1,1,0,0,0|1,0,0]=3 65 B5R0.1 CC(O)CCN M22972 [0,1,1,0,0,0|0,0,0]=2 66 B5R0.1 CC(O)CON M15150 [0,1,1,0,0,0|1,0,0]=3 67 B5R0.1 CCC[C@H](C)N I-9318 [0,1,1,0,0,0|0,0,0]=2 68 B5R0.1 CNCC(C)O P40721 [0,1,1,0,0,0|0,0,0]=2 69 B5R0.1 CNCC(F)F P41399 [0,1,1,0,0,0|1,0,0]=3 70 B5R0.1 CNC[C@@H](C)O P41738 [0,1,1,0,0,0|0,0,0]=2 71 B5R0.1 CNC[C@H](C)O P36531 [0,1,1,0,0,0|0,0,0]=2 72 B5R0.1 COCC(=N)N O34478 [0,1,1,0,0,0|1,0,1]=4 73 B5R0.1 COCC(C)Br O32164 [0,1,1,0,0,0|1,0,0]=3 74 B5R0.1 C[C@@H](N)CCO F-4752 [0,1,1,0,0,0|1,0,0]=3 75 B5R0.1 C[C@H](N)CC#N Q66038 [0,1,1,0,0,0|0,0,2]=4 76 B5R0.1 C[C@H](N)CCO F-4570 [0,1,1,0,0,0|1,0,0]=3 77 B5R0.1 NNCC(F)F L20780 [0,1,1,0,0,0|2,0,0]=4 78 B5R0.1 OCCC(F)F P45589 [0,1,1,0,0,0|2,0,0]=4 79 B5R0.2 C#CCCCI P39399 [0,1,1,0,0,0|1,0,1]=4 80 B5R0.2 C#CCCCO P37563 [0,1,1,0,0,0|1,0,1]=4 81 B5R0.2 C#CCCNC L20446 [0,1,1,0,0,0|0,0,1]=3 82 B5R0.2 C#CCNCC P37598 [0,1,1,0,0,0|0,0,1]=3 83 B5R0.2 C#CCOCC O29883 [0,1,1,0,0,0|1,0,1]=4 84 B5R0.2 CCNCCCl L21040 [0,1,1,0,0,0|0,0,0]=2 85 B5R0.2 CNCCSC M23087 [0,1,1,0,0,0|0,0,0]=2 86 B5R0.2 CSCCCN P39434 [0,1,1,0,0,0|0,0,0]=2 87 B5R0.2 NCC#CCN L19650 [0,1,1,0,0,0|0,0,2]=4 88 B5R0.2 NCC#CCO L20035 [0,1,1,0,0,0|0,0,2]=4 89 B5R0.2 NCCCCS L19142 [0,1,1,0,0,0|0,0,0]=2 90 B5R0.2 [N-]=[N+]=NCCN P42423 [0,1,1,0,0,0|2,0,0]=4 91 B5R0.3 C#CC(O)CC P38163 [0,1,1,0,0,0|1,0,1]=4 92 B5R0.3 CC(CBr)CBr O34172 [0,1,1,0,0,0|2,0,0]=4 93 B5R0.3 CC(CN)CO O30604 [0,1,1,0,0,0|1,0,0]=3 94 B5R0.3 CCC(C)NN O30637 [0,1,1,0,0,0|1,0,0]=3 95 B5R0.3 CNC(=O)CBr P38653 [0,1,1,0,0,0|1,0,1]=4 96 B5R0.3 CNC(=O)CN P37877 [0,1,1,0,0,0|1,0,1]=4 97 B5R0.3 CNC(=O)CO P37539 [0,1,1,0,0,0|1,0,1]=4 98 B5R0.3 CNC(C)CO M23268 [0,1,1,0,0,0|1,0,0]=3 99 B5R0.3 CN[C@@H](C)CO P38191 [0,1,1,0,0,0|1,0,0]=3 100 B5R0.3 CN[C@H](C)CO P41018 [0,1,1,0,0,0|1,0,0]=3 101 B5R0.3 COC(C)CN P36510 [0,1,1,0,0,0|1,0,0]=3 102 B5R0.3 NCC(O)CF M23924 [0,1,1,0,0,0|1,0,0]=3 103 B5R0.3 NC[C@@H](F)CO L22313 [0,1,1,0,0,0|1,0,0]=3 104 B5R0.3 NC[C@@H](O)CCl Q69638 [0,1,1,0,0,0|1,0,0]=3 105 B5R0.3 NC[C@H](F)CO O33576 [0,1,1,0,0,0|1,0,0]=3 106 B5R1.2 BrC1CNC1 D-2507 [0,1,0,0,1,0|0,0,0]=2 107 B5R1.2 BrC1CNC1 P39525 [0,1,0,0,1,0|0,0,0]=2 108 B5R1.2 BrC1COC1 C-2448 [0,1,0,0,1,0|1,0,0]=3 109 B5R1.2 C=C1CCC1 P49771 [0,1,0,0,1,0|0,0,1]=3 110 B5R1.2 C=C1COC1 Q53034 [0,1,0,0,1,0|1,0,1]=4 111 B5R1.2 CC1CCN1 M22690 [0,1,0,0,1,0|0,0,0]=2 112 B5R1.2 CC1CCN1 P44577 [0,1,0,0,1,0|0,0,0]=2 113 B5R1.2 CC1CCO1 Q53239 [0,1,0,0,1,0|1,0,0]=3 114 B5R1.2 CC1CNC1 C-2879 [0,1,0,0,1,0|0,0,0]=2 115 B5R1.2 C[C@@H]1CCN1 P45172 [0,1,0,0,1,0|0,0,0]=2 116 B5R1.2 C[C@@H]1CCO1 Q53238 [0,1,0,0,1,0|1,0,0]=3 117 B5R1.2 C[C@H]1CCN1 P44797 [0,1,0,0,1,0|0,0,0]=2 118 B5R1.2 C[C@H]1CCO1 Q53237 [0,1,0,0,1,0|1,0,0]=3 119 B5R1.2 ClC1CNC1 G-7722 [0,1,0,0,1,0|0,0,0]=2 120 B5R1.2 ClC1COC1 L21610 [0,1,0,0,1,0|1,0,0]=3 121 B5R1.2 FC1CNC1 A-433 [0,1,0,0,1,0|0,0,0]=2 122 B5R1.2 FC1CNC1 P45315 [0,1,0,0,1,0|0,0,0]=2 123 B5R1.2 IC1CCC1 L21363 [0,1,0,0,1,0|0,0,0]=2 124 B5R1.2 IC1CNC1 F-4497 [0,1,0,0,1,0|0,0,0]=2 125 B5R1.2 IC1COC1 C-2449 [0,1,0,0,1,0|1,0,0]=3 126 B5R1.2 NC1CCC1 P45382 [0,1,0,0,1,0|0,0,0]=2 127 B5R1.2 NC1CNC1 L13523 [0,1,0,0,1,0|0,0,0]=2 128 B5R1.2 NC1COC1 C-2472 [0,1,0,0,1,0|1,0,0]=3 129 B5R1.2 NC1COC1 O31926 [0,1,0,0,1,0|1,0,0]=3 130 B5R1.2 NC1CSC1 G-6637 [0,1,0,0,1,0|1,0,0]=3 131 B5R1.2 NC1CSC1 Q58806 [0,1,0,0,1,0|1,0,0]=3 132 B5R1.2 NC1CSC1 S72763 [0,1,0,0,1,0|1,0,0]=3 133 B5R1.2 O=C1CCN1 P35040 [0,1,0,0,1,0|0,0,1]=3 134 B5R1.2 O=C1CNC1 C-2452 [0,1,0,0,1,0|0,0,1]=3 135 B5R1.2 O=C1COC1 A-880 [0,1,0,0,1,0|1,0,1]=4 136 B5R1.2 O=C1CSC1 A-895 [0,1,0,0,1,0|1,0,1]=4 137 B5R1.2 OC1CNC1 A-407 [0,1,0,0,1,0|0,0,0]=2 138 B5R1.2 OC1CNC1 O28030 [0,1,0,0,1,0|0,0,0]=2 139 B5R1.2 OC1COC1 B-1102 [0,1,0,0,1,0|1,0,0]=3 140 B5R1.2 OC1CSC1 L21497 [0,1,0,0,1,0|1,0,0]=3 141 B5R1.2 SC1CNC1 G-7240 [0,1,0,0,1,0|0,0,0]=2 142 B5R1.2 SC1COC1 G-6845 [0,1,0,0,1,0|1,0,0]=3 143 B7R1.3 BrC1=CCCCC1 N24288 [0,1,0,0,0,1|1,0,0]=3 144 B7R1.3 BrC1=CCCNC1 Q65300 [0,1,0,0,0,1|0,0,1]=3 145 B7R1.3 BrC1C=CCCC1 P44668 [0,1,0,0,0,1|1,0,0]=3 146 B7R1.3 BrC1CCCNC1 H-8368 [0,1,0,0,0,1|0,0,0]=2 147 B7R1.3 BrC1CCCOC1 O33555 [0,1,0,0,0,1|1,0,0]=3 148 B7R1.3 BrC1CCOCC1 C-3420 [0,1,0,0,0,1|1,0,0]=3 149 B7R1.3 C=C1CCCNC1 Q59836 [0,1,0,0,0,1|0,0,0]=2 150 B7R1.3 C=C1CCCOC1 Q54979 [0,1,0,0,0,1|1,0,0]=3 151 B7R1.3 C=C1CCNCC1 H-8338 [0,1,0,0,0,1|0,0,0]=2 152 B7R1.3 C=C1CCNCC1 Q55164 [0,1,0,0,0,1|0,0,0]=2 153 B7R1.3 C=C1CCOCC1 L13714 [0,1,0,0,0,1|1,0,0]=3 154 B7R1.3 CC1=CCCNC1 I-9121 [0,1,0,0,0,1|0,0,1]=3 155 B7R1.3 CC1=CCNCC1 I-9119 [0,1,0,0,0,1|0,0,1]=3 156 B7R1.3 CC1CNCCO1 B-1061 [0,1,0,0,0,1|0,0,0]=2 157 B7R1.3 CC1CNCCO1 B-1061-1 [0,1,0,0,0,1|0,0,0]=2 158 B7R1.3 CC1COCCN1 B-1060 [0,1,0,0,0,1|0,0,0]=2 159 B7R1.3 CC1COCCN1 O28936 [0,1,0,0,0,1|0,0,0]=2 160 B7R1.3 C[C@@H]1CCCCN1 P40572 [0,1,0,0,0,1|0,0,0]=2 161 B7R1.3 C[C@@H]1CCCNC1 Q55825 [0,1,0,0,0,1|0,0,0]=2 162 B7R1.3 C[C@@H]1CNCCO1 B-1063 [0,1,0,0,0,1|0,0,0]=2 163 B7R1.3 C[C@@H]1CNCCO1 B-1063-1 [0,1,0,0,0,1|0,0,0]=2 164 B7R1.3 C[C@@H]1COCCN1 B-1058 [0,1,0,0,0,1|0,0,0]=2 165 B7R1.3 C[C@@H]1COCCN1 P34848 [0,1,0,0,0,1|0,0,0]=2 166 B7R1.3 C[C@H]1CCCCN1 P38855 [0,1,0,0,0,1|0,0,0]=2 167 B7R1.3 C[C@H]1CCCCN1 Q54716 [0,1,0,0,0,1|0,0,0]=2 168 B7R1.3 C[C@H]1CCCNC1 Q55824 [0,1,0,0,0,1|0,0,0]=2 169 B7R1.3 C[C@H]1CNCCO1 B-1062 [0,1,0,0,0,1|0,0,0]=2 170 B7R1.3 C[C@H]1CNCCO1 B-1062-1 [0,1,0,0,0,1|0,0,0]=2 171 B7R1.3 C[C@H]1COCCN1 B-1059 [0,1,0,0,0,1|0,0,0]=2 172 B7R1.3 C[C@H]1COCCN1 P42980 [0,1,0,0,0,1|0,0,0]=2 173 B7R1.3 ClC1CCCOC1 Q57646 [0,1,0,0,0,1|1,0,0]=3 174 B7R1.3 FC1CCCNC1 C-2254 [0,1,0,0,0,1|0,0,0]=2 175 B7R1.3 F[C@@H]1CCCNC1 G-5231 [0,1,0,0,0,1|0,0,0]=2 176 B7R1.3 F[C@H]1CCCNC1 C-2765 [0,1,0,0,0,1|0,0,0]=2 177 B7R1.3 IC1CCOCC1 C-3266 [0,1,0,0,0,1|1,0,0]=3 178 B7R1.3 N=C1NCCCO1 L19177 [0,1,0,0,0,1|0,0,1]=3 179 B7R1.3 NC1=NCCCN1 M15172 [0,1,0,0,0,1|0,0,1]=3 180 B7R1.3 NC1CCCOC1 I-9177 [0,1,0,0,0,1|1,0,0]=3 181 B7R1.3 NC1CCCOC1 Q56350 [0,1,0,0,0,1|1,0,0]=3 182 B7R1.3 NC1CCOCC1 B-1768 [0,1,0,0,0,1|1,0,0]=3 183 B7R1.3 NC1CCOCC1 G-5110 [0,1,0,0,0,1|1,0,0]=3 184 B7R1.3 NC1CCSCC1 O33298 [0,1,0,0,0,1|1,0,0]=3 185 B7R1.3 N[C@@H]1CCCNC1 I-9160 [0,1,0,0,0,1|0,0,0]=2 186 B7R1.3 N[C@@H]1CCCOC1 I-9746 [0,1,0,0,0,1|1,0,0]=3 187 B7R1.3 O=C1C=CCCN1 O34600 [0,1,0,0,0,1|0,0,2]=4 188 B7R1.3 O=C1CC=CCC1 Q53604 [0,1,0,0,0,1|1,0,1]=4 189 B7R1.3 O=C1CCCNC1 A-184 [0,1,0,0,0,1|0,0,0]=2 190 B7R1.3 O=C1CCCOC1 G-6070 [0,1,0,0,0,1|1,0,0]=3 191 B7R1.3 O=C1CCCSC1 G-5937 [0,1,0,0,0,1|1,0,0]=3 192 B7R1.3 O=C1CCOCC1 B-1770 [0,1,0,0,0,1|1,0,0]=3 193 B7R1.3 O=C1CCSCC1 C-2949 [0,1,0,0,0,1|1,0,0]=3 194 B7R1.3 O=C1CNCCO1 O28295 [0,1,0,0,0,1|0,0,1]=3 195 B7R1.3 O=C1COCCN1 B-1038 [0,1,0,0,0,1|0,0,1]=3 196 B7R1.3 O=C1OCCCO1 P43743 [0,1,0,0,0,1|1,0,1]=4 197 B7R1.3 OC1C=CCOC1 Q63933 [0,1,0,0,0,1|1,0,1]=4 198 B7R1.3 OC1CCCOC1 G-6220 [0,1,0,0,0,1|1,0,0]=3 199 B7R1.3 OC1CCNCC1 Q52555 [0,1,0,0,0,1|0,0,0]=2 200 B7R1.3 OC1CCOCC1 B-1769 [0,1,0,0,0,1|1,0,0]=3 201 B7R1.3 OC1CCSCC1 Q69934 [0,1,0,0,0,1|1,0,0]=3 202 B7R1.3 O[C@@H]1C=CCOC1 Q63935 [0,1,0,0,0,1|1,0,1]=4 203 B7R1.3 O[C@@H]1CCCNC1 K12060 [0,1,0,0,0,1|0,0,0]=2 204 B7R1.3 O[C@@H]1CCCOC1 P44487 [0,1,0,0,0,1|1,0,0]=3 205 B7R1.3 O[C@H]1C=CCOC1 Q63934 [0,1,0,0,0,1|1,0,1]=4 206 B7R1.3 O[C@H]1CCCNC1 K12075 [0,1,0,0,0,1|0,0,0]=2 207 B7R1.3 O[C@H]1CCCNC1 L13549 [0,1,0,0,0,1|0,0,0]=2 208 B7R1.3 O[C@H]1CCCOC1 P51230 [0,1,0,0,0,1|1,0,0]=3 209 B7R1.3 SC1CCCNC1 L21541 [0,1,0,0,0,1|0,0,0]=2 210 B7R1.3 SC1CCCOC1 Q57701 [0,1,0,0,0,1|1,0,0]=3 211 B7R1.3 SC1CCNCC1 I-9049 [0,1,0,0,0,1|0,0,0]=2 212 B7R1.1 BrCC1=CCCC1 G-5335 [0,2,0,0,0,0|1,0,1]=4 213 B7R1.1 BrCC1CCOC1 C-3388 [0,2,0,0,0,0|1,0,0]=3 214 B7R1.1 C#CC1CCCN1 L14925 [0,2,0,0,0,0|0,0,0]=2 215 B7R1.1 C#CC1CCCN1 Q55558 [0,2,0,0,0,0|0,0,0]=2 216 B7R1.1 C#CC1CCNC1 Q55467 [0,2,0,0,0,0|0,0,0]=2 217 B7R1.1 C#CC1CCNC1 Q55468 [0,2,0,0,0,0|0,0,0]=2 218 B7R1.1 C#CC1CCOC1 G-7177 [0,2,0,0,0,0|1,0,0]=3 219 B7R1.1 C#C[C@@H]1CCCN1 Q55560 [0,2,0,0,0,0|0,0,0]=2 220 B7R1.1 C#C[C@H]1CCCN1 Q55559 [0,2,0,0,0,0|0,0,0]=2 221 B7R1.1 CC[C@@H]1CCNC1 L14526 [0,2,0,0,0,0|0,0,0]=2 222 B7R1.1 CC[C@H]1CCNC1 L14527 [0,2,0,0,0,0|0,0,0]=2 223 B7R1.1 CNC1CCCC1 P36274 [0,2,0,0,0,0|1,0,0]=3 224 B7R1.1 CNC1CCNC1 P41664 [0,2,0,0,0,0|0,0,0]=2 225 B7R1.1 CNC1CCOC1 I-9659 [0,2,0,0,0,0|1,0,0]=3 226 B7R1.1 CN[C@@H]1CCNC1 P41422 [0,2,0,0,0,0|0,0,0]=2 227 B7R1.1 CN[C@@H]1CCOC1 L13930 [0,2,0,0,0,0|1,0,0]=3 228 B7R1.1 CN[C@H]1CCNC1 P41423 [0,2,0,0,0,0|0,0,0]=2 229 B7R1.1 CN[C@H]1CCOC1 L13929 [0,2,0,0,0,0|1,0,0]=3 230 B7R1.1 COC1CCNC1 C-2248 [0,2,0,0,0,0|0,0,0]=2 231 B7R1.1 CO[C@@H]1CCNC1 C-2249 [0,2,0,0,0,0|0,0,0]=2 232 B7R1.1 CO[C@H]1CCNC1 C-2250 [0,2,0,0,0,0|0,0,0]=2 233 B7R1.1 CSC1CCNC1 L20011 [0,2,0,0,0,0|0,0,0]=2 234 B7R1.1 CS[C@@H]1CCNC1 Q52106 [0,2,0,0,0,0|0,0,0]=2 235 B7R1.1 CS[C@H]1CCNC1 Q52105 [0,2,0,0,0,0|0,0,0]=2 236 B7R1.1 FCC1CCCN1 Q52409 [0,2,0,0,0,0|0,0,0]=2 237 B7R1.1 FCC1CCNC1 L20341 [0,2,0,0,0,0|0,0,0]=2 238 B7R1.1 FC[C@@H]1CCCN1 G-5688 [0,2,0,0,0,0|0,0,0]=2 239 B7R1.1 FC[C@@H]1CCCN1 Q61799 [0,2,0,0,0,0|0,0,0]=2 240 B7R1.1 FC[C@@H]1CCNC1 P48130 [0,2,0,0,0,0|0,0,0]=2 241 B7R1.1 FC[C@@H]1CCNC1 Q61807 [0,2,0,0,0,0|0,0,0]=2 242 B7R1.1 FC[C@H]1CCCN1 I-9901 [0,2,0,0,0,0|0,0,0]=2 243 B7R1.1 FC[C@H]1CCCN1 Q51944 [0,2,0,0,0,0|0,0,0]=2 244 B7R1.1 FC[C@H]1CCNC1 P50376 [0,2,0,0,0,0|0,0,0]=2 245 B7R1.1 FC[C@H]1CCNC1 Q61806 [0,2,0,0,0,0|0,0,0]=2 246 B7R1.1 ICC1CCCC1 P39098 [0,2,0,0,0,0|1,0,0]=3 247 B7R1.1 ICC1CCOC1 I-9304 [0,2,0,0,0,0|1,0,0]=3 248 B7R1.1 N#CC1CCCN1 G-6826 [0,2,0,0,0,0|0,0,0]=2 249 B7R1.1 N#CC1CCCN1 Q51936 [0,2,0,0,0,0|0,0,0]=2 250 B7R1.1 N#CC1CCNC1 L13633 [0,2,0,0,0,0|0,0,0]=2 251 B7R1.1 N#CC1CCNC1 M23796 [0,2,0,0,0,0|0,0,0]=2 252 B7R1.1 N#CC1CCOC1 I-9148 [0,2,0,0,0,0|1,0,0]=3 253 B7R1.1 N#C[C@@H]1CCCN1 A-367 [0,2,0,0,0,0|0,0,0]=2 254 B7R1.1 N#C[C@@H]1CCCN1 G-5682 [0,2,0,0,0,0|0,0,0]=2 255 B7R1.1 N#C[C@@H]1CCNC1 C-2960 [0,2,0,0,0,0|0,0,0]=2 256 B7R1.1 N#C[C@@H]1CCOC1 G-6696 [0,2,0,0,0,0|1,0,0]=3 257 B7R1.1 N#C[C@H]1CCCN1 G-5683 [0,2,0,0,0,0|0,0,0]=2 258 B7R1.1 N#C[C@H]1CCCN1 O28475 [0,2,0,0,0,0|0,0,0]=2 259 B7R1.1 N#C[C@H]1CCNC1 C-2961 [0,2,0,0,0,0|0,0,0]=2 260 B7R1.1 N#C[C@H]1CCOC1 I-9839 [0,2,0,0,0,0|1,0,0]=3 261 B7R1.1 NCC1CCCC1 F-4714 [0,2,0,0,0,0|1,0,0]=3 262 B7R1.1 NCC1CCCC1 L14012 [0,2,0,0,0,0|1,0,0]=3 263 B7R1.1 NCC1CCCN1 P37060 [0,2,0,0,0,0|0,0,0]=2 264 B7R1.1 NCC1CCOC1 C-3659 [0,2,0,0,0,0|1,0,0]=3 265 B7R1.1 NCC1CCOC1 G-6767 [0,2,0,0,0,0|1,0,0]=3 266 B7R1.1 NC[C@@H]1CCCN1 G-5891 [0,2,0,0,0,0|0,0,0]=2 267 B7R1.1 NC[C@@H]1CCOC1 C-2790 [0,2,0,0,0,0|1,0,0]=3 268 B7R1.1 NC[C@@H]1CCOC1 G-5015 [0,2,0,0,0,0|1,0,0]=3 269 B7R1.1 NC[C@H]1CCCN1 P42386 [0,2,0,0,0,0|0,0,0]=2 270 B7R1.1 NC[C@H]1CCNC1 Q55433 [0,2,0,0,0,0|0,0,0]=2 271 B7R1.1 NC[C@H]1CCOC1 C-2789 [0,2,0,0,0,0|1,0,0]=3 272 B7R1.1 NC[C@H]1CCOC1 G-5014 [0,2,0,0,0,0|1,0,0]=3 273 B7R1.1 NNC1CCCC1 O31761 [0,2,0,0,0,0|1,0,0]=3 274 B7R1.1 NNC1CCNC1 O29712 [0,2,0,0,0,0|0,0,0]=2 275 B7R1.1 O=CC1=CCCC1 O33977 [0,2,0,0,0,0|1,0,1]=4 276 B7R1.1 OCC1CC=CC1 G-6600 [0,2,0,0,0,0|1,0,1]=4 277 B7R1.1 OCC1CCNC1 C-2924 [0,2,0,0,0,0|0,0,0]=2 278 B7R1.1 OCC1CCNC1 L13610 [0,2,0,0,0,0|0,0,0]=2 279 B7R1.1 OCC1CCOC1 C-3387 [0,2,0,0,0,0|1,0,0]=3 280 B7R1.1 OCC1OCCO1 O33317 [0,2,0,0,0,0|2,0,0]=4 281 B7R1.1 OC[C@@H]1CCCO1 O32723 [0,2,0,0,0,0|1,0,0]=3 282 B7R1.1 OC[C@@H]1CCNC1 G-6083 [0,2,0,0,0,0|0,0,0]=2 283 B7R1.1 OC[C@@H]1CCNC1 L13662 [0,2,0,0,0,0|0,0,0]=2 284 B7R1.1 OC[C@@H]1CCOC1 C-2787 [0,2,0,0,0,0|1,0,0]=3 285 B7R1.1 OC[C@H]1CCNC1 G-6082 [0,2,0,0,0,0|0,0,0]=2 286 B7R1.1 OC[C@H]1CCNC1 L14041 [0,2,0,0,0,0|0,0,0]=2 287 B7R1.1 OC[C@H]1CCOC1 C-2788 [0,2,0,0,0,0|1,0,0]=3 288 B7R1.2 CC1CC(O)CN1 Q59204 [0,2,0,0,0,0|0,0,0]=2 289 B7R1.2 CC1CC(O)CN1 Q59205 [0,2,0,0,0,0|0,0,0]=2 290 B7R1.2 CC1CCC(N)C1 Q56970 [0,2,0,0,0,0|1,0,0]=3 291 B7R1.2 CC1CNC(=O)C1 L13710 [0,2,0,0,0,0|0,0,1]=3 292 B7R1.2 CC1CNC(=O)O1 P51279 [0,2,0,0,0,0|1,0,1]=4 293 B7R1.2 CN1CCC(Br)C1 Q53645 [0,2,0,0,0,0|0,0,0]=2 294 B7R1.2 CN1CCC(N)C1 C-2205 [0,2,0,0,0,0|0,0,0]=2 295 B7R1.2 CN1CCC(N)C1 O28463 [0,2,0,0,0,0|0,0,0]=2 296 B7R1.2 CN1CCC(O)C1 C-3294 [0,2,0,0,0,0|0,0,0]=2 297 B7R1.2 CN1CC[C@@H](N)C1 C-2206 [0,2,0,0,0,0|0,0,0]=2 298 B7R1.2 CN1CC[C@@H](N)C1 Q66155 [0,2,0,0,0,0|0,0,0]=2 299 B7R1.2 CN1CC[C@@H](O)C1 C-3296 [0,2,0,0,0,0|0,0,0]=2 300 B7R1.2 CN1CC[C@H](N)C1 C-2207 [0,2,0,0,0,0|0,0,0]=2 301 B7R1.2 CN1CC[C@H](N)C1 P35579 [0,2,0,0,0,0|0,0,0]=2 302 B7R1.2 CN1CC[C@H](N)C1 Q51811 [0,2,0,0,0,0|0,0,0]=2 303 B7R1.2 CN1CC[C@H](O)C1 C-3295 [0,2,0,0,0,0|0,0,0]=2 304 B7R1.2 C[C@@H]1CC[C@@H](C)N1 O32970 [0,2,0,0,0,0|0,0,0]=2 305 B7R1.2 C[C@@H]1CC[C@@H](C)N1 Q61707 [0,2,0,0,0,0|0,0,0]=2 306 B7R1.2 C[C@@H]1CC[C@@H](C)N1 Q61742 [0,2,0,0,0,0|0,0,0]=2 307 B7R1.2 C[C@@H]1CNC(=O)C1 L22301 [0,2,0,0,0,0|0,0,1]=3 308 B7R1.2 C[C@@H]1CNC(=O)O1 P42625 [0,2,0,0,0,0|1,0,1]=4 309 B7R1.2 C[C@@H]1CN[C@@H](C)C1 Q61627 [0,2,0,0,0,0|0,0,0]=2 310 B7R1.2 C[C@@H]1C[C@@H](O)CN1 Q56025 [0,2,0,0,0,0|0,0,0]=2 311 B7R1.2 C[C@@H]1C[C@H](F)CN1 Q54433 [0,2,0,0,0,0|0,0,0]=2 312 B7R1.2 C[C@@H]1C[C@H](O)CN1 L14502 [0,2,0,0,0,0|0,0,0]=2 313 B7R1.2 C[C@H]1CC[C@@H](C)N1 O32965 [0,2,0,0,0,0|0,0,0]=2 314 B7R1.2 C[C@H]1CC[C@@H](C)N1 Q61708 [0,2,0,0,0,0|0,0,0]=2 315 B7R1.2 C[C@H]1CNC(=O)C1 L18264 [0,2,0,0,0,0|0,0,1]=3 316 B7R1.2 C[C@H]1C[C@@H](O)CN1 Q56026 [0,2,0,0,0,0|0,0,0]=2 317 B7R1.2 C[C@H]1C[C@H](O)CN1 L13861 [0,2,0,0,0,0|0,0,0]=2 318 B7R1.2 NC1C=CC(F)C1 Q54397 [0,2,0,0,0,0|1,0,1]=4 319 B7R1.2 NC1CCC(F)C1 Q54470 [0,2,0,0,0,0|1,0,0]=3 320 B7R1.2 NC1CCC(F)C1 Q54471 [0,2,0,0,0,0|1,0,0]=3 321 B7R1.2 NC1CCC(O)C1 G-5810 [0,2,0,0,0,0|1,0,0]=3 322 B7R1.2 NC1CNC(=O)C1 G-6478 [0,2,0,0,0,0|0,0,1]=3 323 B7R1.2 NC1CNC(=O)C1 L13560 [0,2,0,0,0,0|0,0,1]=3 324 B7R1.2 N[C@@H]1CC[C@@H](F)C1 Q56999 [0,2,0,0,0,0|1,0,0]=3 325 B7R1.2 N[C@@H]1CC[C@@H](F)C1 Q57000 [0,2,0,0,0,0|1,0,0]=3 326 B7R1.2 N[C@@H]1CC[C@@H](F)C1 Q57004 [0,2,0,0,0,0|1,0,0]=3 327 B7R1.2 N[C@@H]1CC[C@@H](O)C1 G-6580 [0,2,0,0,0,0|1,0,0]=3 328 B7R1.2 N[C@@H]1CC[C@@H](O)C1 L13346 [0,2,0,0,0,0|1,0,0]=3 329 B7R1.2 N[C@@H]1CC[C@@H](O)C1 Q57092 [0,2,0,0,0,0|1,0,0]=3 330 B7R1.2 N[C@@H]1CC[C@H](F)C1 Q57002 [0,2,0,0,0,0|1,0,0]=3 331 B7R1.2 N[C@@H]1CC[C@H](O)C1 L13208 [0,2,0,0,0,0|1,0,0]=3 332 B7R1.2 N[C@@H]1CC[C@H](O)C1 Q57094 [0,2,0,0,0,0|1,0,0]=3 333 B7R1.2 N[C@@H]1CNC(=O)C1 L13184 [0,2,0,0,0,0|0,0,1]=3 334 B7R1.2 N[C@@H]1CNC(=O)C1 P44245 [0,2,0,0,0,0|0,0,1]=3 335 B7R1.2 N[C@H]1CC[C@@H](F)C1 O33077 [0,2,0,0,0,0|1,0,0]=3 336 B7R1.2 N[C@H]1CC[C@@H](F)C1 Q56998 [0,2,0,0,0,0|1,0,0]=3 337 B7R1.2 N[C@H]1CC[C@@H](F)C1 Q57001 [0,2,0,0,0,0|1,0,0]=3 338 B7R1.2 N[C@H]1CC[C@@H](O)C1 G-6579 [0,2,0,0,0,0|1,0,0]=3 339 B7R1.2 N[C@H]1CC[C@@H](O)C1 K10902 [0,2,0,0,0,0|1,0,0]=3 340 B7R1.2 N[C@H]1CC[C@@H](O)C1 L21276 [0,2,0,0,0,0|1,0,0]=3 341 B7R1.2 N[C@H]1CC[C@H](F)C1 Q57003 [0,2,0,0,0,0|1,0,0]=3 342 B7R1.2 N[C@H]1CC[C@H](O)C1 I-9981 [0,2,0,0,0,0|1,0,0]=3 343 B7R1.2 N[C@H]1CC[C@H](O)C1 Q57093 [0,2,0,0,0,0|1,0,0]=3 344 B7R1.2 N[C@H]1CNC(=O)C1 L13183 [0,2,0,0,0,0|0,0,1]=3 345 B7R1.2 O=C1CC(O)CN1 P39299 [0,2,0,0,0,0|0,0,1]=3 346 B7R1.2 O=C1CCC(=O)C1 I-9301 [0,2,0,0,0,0|1,0,1]=4 347 B7R1.2 O=C1CCC(Br)C1 Q56972 [0,2,0,0,0,0|1,0,0]=3 348 B7R1.2 O=C1CCC(F)C1 Q55724 [0,2,0,0,0,0|1,0,0]=3 349 B7R1.2 O=C1CCC(O)C1 H-8145 [0,2,0,0,0,0|1,0,0]=3 350 B7R1.2 O=C1CNC(=O)C1 L18257 [0,2,0,0,0,0|0,0,2]=4 351 B7R1.2 O=C1C[C@@H](O)CN1 M22799 [0,2,0,0,0,0|0,0,1]=3 352 B7R1.2 O=C1C[C@@H](S)CN1 I-9138 [0,2,0,0,0,0|0,0,1]=3 353 B7R1.2 OC1CCC(F)C1 Q55723 [0,2,0,0,0,0|1,0,0]=3 354 B7R1.2 OC1CCC(O)C1 L14091 [0,2,0,0,0,0|1,0,0]=3 355 B7R1.2 O[C@@H]1C=C[C@@H](F)C1 Q63540 [0,2,0,0,0,0|1,0,1]=4 356 B7R1.2 O[C@@H]1C=C[C@H](F)C1 Q63539 [0,2,0,0,0,0|1,0,1]=4 357 B7R1.2 O[C@@H]1C=C[C@H](O)C1 Q54369 [0,2,0,0,0,0|1,0,1]=4 358 B7R1.2 O[C@@H]1CC[C@@H](O)C1 O33251 [0,2,0,0,0,0|1,0,0]=3 359 B7R1.2 O[C@H]1C=C[C@@H](F)C1 Q63538 [0,2,0,0,0,0|1,0,1]=4 360 B7R1.2 O[C@H]1C=C[C@H](F)C1 Q63541 [0,2,0,0,0,0|1,0,1]=4 361 B7R1.2 O[C@H]1CC[C@@H](O)C1 L14976 [0,2,0,0,0,0|1,0,0]=3 362 B7R1.2 O[C@H]1CC[C@H](O)C1 Q57036 [0,2,0,0,0,0|1,0,0]=3 363 B7R1.2 S=C1CCC(=S)N1 M15166 [0,2,0,0,0,0|0,0,2]=4 364 B7R1.4 CC1CCNC1=O O30375 [0,2,0,0,0,0|0,0,1]=3 365 B7R1.4 CC1CCNC1C Q61659 [0,2,0,0,0,0|0,0,0]=2 366 B7R1.4 CC1CNCC1C O33388 [0,2,0,0,0,0|0,0,0]=2 367 B7R1.4 CC1CNCC1F Q54416 [0,2,0,0,0,0|0,0,0]=2 368 B7R1.4 CC1CNCC1O Q59312 [0,2,0,0,0,0|0,0,0]=2 369 B7R1.4 CN1CCCC1=N Q59266 [0,2,0,0,0,0|0,0,1]=3 370 B7R1.4 CN1CCNC1=S O29860 [0,2,0,0,0,0|1,0,1]=4 371 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53279 [0,2,0,0,0,0|1,0,0]=3 372 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53280 [0,2,0,0,0,0|1,0,0]=3 373 B7R1.4 C[C@@H]1CCNC1=O Q61716 [0,2,0,0,0,0|0,0,1]=3 374 B7R1.4 C[C@@H]1CNC[C@@H]1F Q56053 [0,2,0,0,0,0|0,0,0]=2 375 B7R1.4 C[C@@H]1CNC[C@@H]1F Q56054 [0,2,0,0,0,0|0,0,0]=2 376 B7R1.4 C[C@@H]1CNC[C@@H]1N Q61701 [0,2,0,0,0,0|0,0,0]=2 377 B7R1.4 C[C@@H]1CNC[C@@H]1N Q61702 [0,2,0,0,0,0|0,0,0]=2 378 B7R1.4 C[C@@H]1CNC[C@@H]1O L22286 [0,2,0,0,0,0|0,0,0]=2 379 B7R1.4 C[C@@H]1CNC[C@@H]1O Q55495 [0,2,0,0,0,0|0,0,0]=2 380 B7R1.4 C[C@@H]1CNC[C@H]1O L22285 [0,2,0,0,0,0|0,0,0]=2 381 B7R1.4 C[C@@H]1CNC[C@H]1O Q55494 [0,2,0,0,0,0|0,0,0]=2 382 B7R1.4 C[C@@H]1COC[C@H]1N F-4262 [0,2,0,0,0,0|1,0,0]=3 383 B7R1.4 C[C@@H]1NCC[C@@H]1O Q64145 [0,2,0,0,0,0|0,0,0]=2 384 B7R1.4 C[C@@H]1NCC[C@H]1O Q64143 [0,2,0,0,0,0|0,0,0]=2 385 B7R1.4 C[C@H]1CCC[C@@H]1N Q53277 [0,2,0,0,0,0|1,0,0]=3 386 B7R1.4 C[C@H]1CCC[C@@H]1N Q53278 [0,2,0,0,0,0|1,0,0]=3 387 B7R1.4 C[C@H]1CCNC1=O Q61658 [0,2,0,0,0,0|0,0,1]=3 388 B7R1.4 C[C@H]1COC[C@@H]1N L13875 [0,2,0,0,0,0|1,0,0]=3 389 B7R1.4 C[C@H]1NCC[C@@H]1O Q64142 [0,2,0,0,0,0|0,0,0]=2 390 B7R1.4 C[C@H]1NCC[C@H]1O Q64144 [0,2,0,0,0,0|0,0,0]=2 391 B7R1.4 FC1CNCC1F Q57411 [0,2,0,0,0,0|0,0,0]=2 392 B7R1.4 F[C@@H]1CNC[C@H]1F Q63594 [0,2,0,0,0,0|0,0,0]=2 393 B7R1.4 F[C@H]1CNC[C@@H]1F K12040 [0,2,0,0,0,0|0,0,0]=2 394 B7R1.4 F[C@H]1CNC[C@@H]1F Q56486 [0,2,0,0,0,0|0,0,0]=2 395 B7R1.4 F[C@H]1CNC[C@H]1F G-6496 [0,2,0,0,0,0|0,0,0]=2 396 B7R1.4 NC1CCCC1Cl Q54474 [0,2,0,0,0,0|1,0,0]=3 397 B7R1.4 NC1CCCC1F Q54472 [0,2,0,0,0,0|1,0,0]=3 398 B7R1.4 NC1CCCC1F Q54473 [0,2,0,0,0,0|1,0,0]=3 399 B7R1.4 NC1CCCC1O F-4442 [0,2,0,0,0,0|1,0,0]=3 400 B7R1.4 NC1CCNC1=O F-4440 [0,2,0,0,0,0|0,0,1]=3 401 B7R1.4 NN1CCCC1=O P51102 [0,2,0,0,0,0|0,0,1]=3 402 B7R1.4 N[C@@H]1CCC[C@@H]1F Q61724 [0,2,0,0,0,0|1,0,0]=3 403 B7R1.4 N[C@@H]1CCC[C@@H]1F Q61725 [0,2,0,0,0,0|1,0,0]=3 404 B7R1.4 N[C@@H]1CCC[C@@H]1O F-4443 [0,2,0,0,0,0|1,0,0]=3 405 B7R1.4 N[C@@H]1CCC[C@@H]1O F-4445 [0,2,0,0,0,0|1,0,0]=3 406 B7R1.4 N[C@@H]1CCC[C@H]1F O32983 [0,2,0,0,0,0|1,0,0]=3 407 B7R1.4 N[C@@H]1CCC[C@H]1F Q61721 [0,2,0,0,0,0|1,0,0]=3 408 B7R1.4 N[C@@H]1CCC[C@H]1F Q61728 [0,2,0,0,0,0|1,0,0]=3 409 B7R1.4 N[C@@H]1CCC[C@H]1N L21303 [0,2,0,0,0,0|1,0,0]=3 410 B7R1.4 N[C@@H]1CCC[C@H]1N Q61965 [0,2,0,0,0,0|1,0,0]=3 411 B7R1.4 N[C@@H]1CCC[C@H]1O F-4450 [0,2,0,0,0,0|1,0,0]=3 412 B7R1.4 N[C@@H]1CCC[C@H]1O I-9382 [0,2,0,0,0,0|1,0,0]=3 413 B7R1.4 N[C@@H]1CCNC1=O F-4458 [0,2,0,0,0,0|0,0,1]=3 414 B7R1.4 N[C@@H]1COC[C@@H]1N G-7625 [0,2,0,0,0,0|1,0,0]=3 415 B7R1.4 N[C@@H]1COC[C@@H]1N L14037 [0,2,0,0,0,0|1,0,0]=3 416 B7R1.4 N[C@@H]1COC[C@H]1N G-7624 [0,2,0,0,0,0|1,0,0]=3 417 B7R1.4 N[C@@H]1COC[C@H]1O H-8080 [0,2,0,0,0,0|1,0,0]=3 418 B7R1.4 N[C@H]1CCC[C@@H]1F Q61723 [0,2,0,0,0,0|1,0,0]=3 419 B7R1.4 N[C@H]1CCC[C@@H]1O F-4444 [0,2,0,0,0,0|1,0,0]=3 420 B7R1.4 N[C@H]1CCC[C@@H]1O F-4447 [0,2,0,0,0,0|1,0,0]=3 421 B7R1.4 N[C@H]1CCC[C@@H]1O F-4448 [0,2,0,0,0,0|1,0,0]=3 422 B7R1.4 N[C@H]1CCC[C@H]1F Q61722 [0,2,0,0,0,0|1,0,0]=3 423 B7R1.4 N[C@H]1CCC[C@H]1F Q61726 [0,2,0,0,0,0|1,0,0]=3 424 B7R1.4 N[C@H]1CCC[C@H]1F Q61727 [0,2,0,0,0,0|1,0,0]=3 425 B7R1.4 N[C@H]1CCC[C@H]1N O33475 [0,2,0,0,0,0|1,0,0]=3 426 B7R1.4 N[C@H]1CCC[C@H]1O F-4446 [0,2,0,0,0,0|1,0,0]=3 427 B7R1.4 N[C@H]1CCC[C@H]1O F-4449 [0,2,0,0,0,0|1,0,0]=3 428 B7R1.4 N[C@H]1CCC[C@H]1O Q52258 [0,2,0,0,0,0|1,0,0]=3 429 B7R1.4 N[C@H]1CCNC1=O F-4459 [0,2,0,0,0,0|0,0,1]=3 430 B7R1.4 N[C@H]1CCNC1=O L14236 [0,2,0,0,0,0|0,0,1]=3 431 B7R1.4 N[C@H]1COC[C@@H]1N G-6892 [0,2,0,0,0,0|1,0,0]=3 432 B7R1.4 N[C@H]1COC[C@@H]1N G-7623 [0,2,0,0,0,0|1,0,0]=3 433 B7R1.4 N[C@H]1COC[C@@H]1O F-4615 [0,2,0,0,0,0|1,0,0]=3 434 B7R1.4 N[C@H]1COC[C@@H]1O H-8081 [0,2,0,0,0,0|1,0,0]=3 435 B7R1.4 N[C@H]1COC[C@H]1O L22268 [0,2,0,0,0,0|1,0,0]=3 436 B7R1.4 N[C@H]1COC[C@H]1O P45710 [0,2,0,0,0,0|1,0,0]=3 437 B7R1.4 O=C1CCCC1=O L19145 [0,2,0,0,0,0|1,0,1]=4 438 B7R1.4 O=C1CCCC1O Q61720 [0,2,0,0,0,0|1,0,0]=3 439 B7R1.4 O=C1CCNC1=O Q62042 [0,2,0,0,0,0|0,0,2]=4 440 B7R1.4 O=C1NCCC1Br O31241 [0,2,0,0,0,0|0,0,1]=3 441 B7R1.4 O=C1NCCC1F Q62170 [0,2,0,0,0,0|0,0,1]=3 442 B7R1.4 O=C1NCCC1O D-2532 [0,2,0,0,0,0|0,0,1]=3 443 B7R1.4 O=C1NCC[C@@H]1F Q63592 [0,2,0,0,0,0|0,0,1]=3 444 B7R1.4 O=C1NCC[C@@H]1O F-4184 [0,2,0,0,0,0|0,0,1]=3 445 B7R1.4 O=C1NCC[C@H]1F Q63593 [0,2,0,0,0,0|0,0,1]=3 446 B7R1.4 O=C1NCC[C@H]1O O30124 [0,2,0,0,0,0|0,0,1]=3 447 B7R1.4 OC1CCC=C1Br O29401 [0,2,0,0,0,0|1,0,1]=4 448 B7R1.4 OC1CCCC1F L19027 [0,2,0,0,0,0|1,0,0]=3 449 B7R1.4 O[C@@H]1CCC[C@H]1F Q62078 [0,2,0,0,0,0|1,0,0]=3 450 B7R1.4 O[C@@H]1CNC[C@@H]1F P47689 [0,2,0,0,0,0|0,0,0]=2 451 B7R1.4 O[C@@H]1CNC[C@H]1F L22087 [0,2,0,0,0,0|0,0,0]=2 452 B7R1.4 O[C@@H]1CNC[C@H]1O I-9041 [0,2,0,0,0,0|0,0,0]=2 453 B7R1.4 O[C@H]1CCC[C@@H]1O Q61543 [0,2,0,0,0,0|1,0,0]=3 454 B7R1.4 O[C@H]1CNC[C@@H]1F G-6498 [0,2,0,0,0,0|0,0,0]=2 455 B7R1.4 O[C@H]1CNC[C@@H]1F L18425 [0,2,0,0,0,0|0,0,0]=2 456 B7R1.4 O[C@H]1CNC[C@@H]1O G-7319 [0,2,0,0,0,0|0,0,0]=2 457 B7R1.4 O[C@H]1CNC[C@@H]1O I-9326 [0,2,0,0,0,0|0,0,0]=2 458 B7R1.4 O[C@H]1CNC[C@@H]1O O33609 [0,2,0,0,0,0|0,0,0]=2 459 B7R1.4 O[C@H]1CNC[C@H]1F L14907 [0,2,0,0,0,0|0,0,0]=2 460 B7R1.4 O[C@H]1CNC[C@H]1F Q64937 [0,2,0,0,0,0|0,0,0]=2 461 B7R1.4 O[C@H]1CNC[C@H]1O G-6497 [0,2,0,0,0,0|0,0,0]=2 462 B7R1.4 O[C@H]1CNC[C@H]1O H-8791 [0,2,0,0,0,0|0,0,0]=2 463 B7R1.4 O[C@H]1COC[C@H]1O G-7040 [0,2,0,0,0,0|1,0,0]=3 464 B7R1.14 CC1(C)CCCN1 A-592 [0,2,0,0,0,0|0,0,0]=2 465 B7R1.14 CC1(C)CCCN1 Q51927 [0,2,0,0,0,0|0,0,0]=2 466 B7R1.14 CC1(C)CCNC1 I-9310 [0,2,0,0,0,0|0,0,0]=2 467 B7R1.14 CC1(C)CCNC1 Q56449 [0,2,0,0,0,0|0,0,0]=2 468 B7R1.14 CC1(F)CCNC1 L14429 [0,2,0,0,0,0|0,0,0]=2 469 B7R1.14 CC1(F)CCNC1 Q61800 [0,2,0,0,0,0|0,0,0]=2 470 B7R1.14 CC1(N)CCCC1 Q57352 [0,2,0,0,0,0|1,0,0]=3 471 B7R1.14 CC1(N)CCNC1 Q61976 [0,2,0,0,0,0|0,0,0]=2 472 B7R1.14 CC1(N)CCNC1 Q61977 [0,2,0,0,0,0|0,0,0]=2 473 B7R1.14 CC1(N)CCOC1 F-4690 [0,2,0,0,0,0|1,0,0]=3 474 B7R1.14 CC1(O)CCNC1 D-2556 [0,2,0,0,0,0|0,0,0]=2 475 B7R1.14 CC1(O)CCNC1 O28700 [0,2,0,0,0,0|0,0,0]=2 476 B7R1.14 C[C@@]1(F)CCNC1 Q56047 [0,2,0,0,0,0|0,0,0]=2 477 B7R1.14 C[C@@]1(F)CCNC1 Q56048 [0,2,0,0,0,0|0,0,0]=2 478 B7R1.14 C[C@@]1(O)CCNC1 H-8070 [0,2,0,0,0,0|0,0,0]=2 479 B7R1.14 C[C@@]1(O)CCNC1 Q52190 [0,2,0,0,0,0|0,0,0]=2 480 B7R1.14 C[C@]1(F)CCNC1 Q61810 [0,2,0,0,0,0|0,0,0]=2 481 B7R1.14 C[C@]1(F)CCNC1 Q61811 [0,2,0,0,0,0|0,0,0]=2 482 B7R1.14 C[C@]1(O)CCNC1 H-8071 [0,2,0,0,0,0|0,0,0]=2 483 B7R1.14 C[C@]1(O)CCNC1 O33042 [0,2,0,0,0,0|0,0,0]=2 484 B7R1.14 FC1(F)CCNC1 C-2209 [0,2,0,0,0,0|0,0,0]=2 485 B7R1.14 O=S1(=O)NCCO1 G-7898 [0,2,0,0,0,0|2,0,0]=4 486 B5R1.3 CNC1CC1 G-6453 [0,0,1,1,0,0|0,0,0]=2 487 B5R1.3 ClCC1CS1 H-8564 [0,0,1,1,0,0|2,0,0]=4 488 B5R1.3 ICC1CC1 P38738 [0,0,1,1,0,0|1,0,0]=3 489 B5R1.3 NNC1CC1 H-8725 [0,0,1,1,0,0|1,0,0]=3 490 B5R1.3 NNC1CC1 O31496 [0,0,1,1,0,0|1,0,0]=3 491 B5R1.3 SCC1CC1 F-4776 [0,0,1,1,0,0|1,0,0]=3 492 B5R1.4 NC1CC1F O33119 [0,0,1,1,0,0|1,0,0]=3 493 B5R1.4 N[C@@H]1C[C@H]1N Q54346 [0,0,1,1,0,0|1,0,0]=3 494 B5R1.4 N[C@H]1C[C@@H]1F Q52395 [0,0,1,1,0,0|1,0,0]=3 495 B7R2.13 C1=CC2OC2C1 Q61735 [0,0,0,1,0,1|1,0,1]=4 496 B7R2.13 C1CC2CC2N1 L14349 [0,0,0,1,0,1|0,0,0]=2 497 B7R2.13 C1CC2CC2N1 Q56284 [0,0,0,1,0,1|0,0,0]=2 498 B7R2.13 C1CC2NC2C1 Q59136 [0,0,0,1,0,1|0,0,0]=2 499 B7R2.13 C1C[C@@H]2C[C@@H]2N1 Q56920 [0,0,0,1,0,1|0,0,0]=2 500 B7R2.13 C1C[C@H]2C[C@H]2N1 Q56921 [0,0,0,1,0,1|0,0,0]=2 501 B7R2.13 C1NCC2CC12 C-2898 [0,0,0,1,0,1|0,0,0]=2 502 B7R2.13 C1NCC2CC12 Q52508 [0,0,0,1,0,1|0,0,0]=2 503 B7R2.13 C1OCC2OC12 I-9100 [0,0,0,1,0,1|1,0,0]=3 504 B7R2.11 C1NC2CC1C2 F-4800 [0,1,0,1,0,0|0,0,0]=2 505 B7R2.11 C1NC2CC1C2 P45727 [0,1,0,1,0,0|0,0,0]=2 506 B7R1.24 C1CNCCOC1 O28784 [0,0,0,0,0,2|0,0,0]=2