0 B6R0.1 C#CC(O)CCC P42817 [0,0,0,0,0,0|1,0,3]=4 1 B6R0.1 CCC(=O)CC#N P38761 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.1 CCC(S)CCO O29430 [0,0,0,0,0,0|2,1,1]=4 3 B6R0.1 CCC[C@@H](N)CO P35977 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 CCC[C@H](N)CO P39535 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 CCN(C)CCO Q66070 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.1 CCNC(=O)CN P39222 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.1 CCNC(=O)CO O31312 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.1 CCNC(=O)NC M15284 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.1 CCOC(=N)CCl P38507 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.1 CNC(=O)CCCl P38167 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.1 CNC(=O)CCN P37692 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.1 CNCC(=O)NC P37691 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.1 CNCC(=O)NC P38046 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.1 C=C(C)CON P51484 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 CC(N)CCO P39048 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 CC(O)CCN M22972 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.1 CCC[C@H](C)N I-9318 [1,0,0,0,0,0|1,0,1]=3 18 B5R0.1 CNCC(C)O P40721 [1,0,0,0,0,0|1,0,2]=4 19 B5R0.1 CNC[C@@H](C)O P41738 [1,0,0,0,0,0|1,0,2]=4 20 B5R0.1 CNC[C@H](C)O P36531 [1,0,0,0,0,0|1,0,2]=4 21 B5R0.1 COCC(=N)N O34478 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.1 COCC(C)Br O32164 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.1 C[C@@H](N)CCO F-4752 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 C[C@H](N)CCO F-4570 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 O=C(O)CCF A-698 [1,0,0,0,0,0|1,0,0]=2 26 B5R0.2 CCNCCCl L21040 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.2 CNCCSC M23087 [1,0,0,0,0,0|1,1,1]=4 28 B5R0.2 CSCCCN P39434 [1,0,0,0,0,0|1,1,1]=4 29 B5R0.3 C#CC(=O)NC L19171 [1,0,0,0,0,0|1,0,2]=4 30 B5R0.3 CNC(=O)CBr P38653 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.3 CNC(=O)CN P37877 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.3 CNC(=O)CO P37539 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.3 COC(=N)CCl P36514 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.3 COC(C)CN P36510 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.2 C#CC(=O)OC(C)C S86242 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.2 C=CC(=O)CC(C)C L19279 [0,1,0,0,0,0|1,0,1]=3 37 B7R0.2 CC(C)NC(=O)CBr P36229 [0,1,0,0,0,0|3,0,0]=4 38 B7R0.2 CC(C)NC(=O)CN P36647 [0,1,0,0,0,0|3,0,0]=4 39 B7R0.2 CC(C)NC(=O)CN P37073 [0,1,0,0,0,0|3,0,0]=4 40 B7R0.2 CCC(=O)CC(=O)O P43007 [0,1,0,0,0,0|2,0,1]=4 41 B7R0.2 CCC(=O)CC(C)=O O31794 [0,1,0,0,0,0|1,0,1]=3 42 B7R0.2 CNC(=O)CC(=O)O P38150 [0,1,0,0,0,0|2,0,1]=4 43 B7R0.2 COC(=O)CC(C)N P41489 [0,1,0,0,0,0|0,0,0]=1 44 B7R0.2 COC(=O)CN(C)C P36457 [0,1,0,0,0,0|1,0,0]=2 45 B7R0.2 COC(=O)C[C@@H](C)N Q68958 [0,1,0,0,0,0|0,0,0]=1 46 B7R0.2 COC(=O)C[N+](=O)[O-] P45896 [0,1,0,0,0,0|2,0,0]=3 47 B7R0.3 CCCNC(=O)CN P36648 [0,1,0,0,0,0|2,0,0]=3 48 B7R0.3 CC\C=C\C(=O)OC Q70108 [0,1,0,0,0,0|0,0,1]=2 49 B7R0.3 CNC(=O)CCCN P40550 [0,1,0,0,0,0|1,0,0]=2 50 B7R0.3 CNCCC(=O)NC P37767 [0,1,0,0,0,0|1,0,0]=2 51 B7R0.3 CNCCC(=O)OC P36826 [0,1,0,0,0,0|0,0,0]=1 52 B7R0.3 COC(=O)CN=[N+]=[N-] P40367 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.5 CCCC(C)C(C)N L19280 [0,1,0,0,0,0|2,0,1]=4 54 B7R0.5 CCOC(=O)C(=O)O P37044 [0,1,0,0,0,0|3,0,0]=4 55 B7R0.5 CN(C)C(=O)CCCl P40567 [0,1,0,0,0,0|2,0,0]=3 56 B7R0.5 CN(C)C(=O)CCN O33598 [0,1,0,0,0,0|2,0,0]=3 57 B7R0.5 CNCC(=O)N(C)C P40286 [0,1,0,0,0,0|2,0,0]=3 58 B7R0.7 CCCN(C)CCO Q66069 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.7 CCNC(=O)CC#N P41076 [0,1,0,0,0,0|2,0,1]=4 60 B7R0.7 CCNC(=O)CCN P36830 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.7 CCNC(=O)CNC P35209 [0,1,0,0,0,0|2,0,0]=3 62 B7R0.7 CCNC(=O)CNC P39556 [0,1,0,0,0,0|2,0,0]=3 63 B7R0.7 CCOC(=O)CCI P36879 [0,1,0,0,0,0|1,0,0]=2 64 B7R0.7 CCOC(=O)NCO Q69358 [0,1,0,0,0,0|2,0,0]=3 65 B7R0.7 CCOC(=O)\C=C\[O-] I-9388 [0,1,0,0,0,0|1,0,2]=4 66 B7R0.10 CCC(=O)N(C)OC P42839 [0,1,0,0,0,0|2,0,1]=4 67 B7R0.10 CCN(C)C(=O)CN P36486 [0,1,0,0,0,0|3,0,0]=4 68 B7R0.10 CN[C@@H](C)C(=O)OC P40007 [0,1,0,0,0,0|1,0,0]=2 69 B7R0.10 COC(=O)C(C)CN P35475 [0,1,0,0,0,0|1,0,0]=2 70 B7R0.10 COC(=O)[C@@H](N)CN P41137 [0,1,0,0,0,0|1,0,0]=2 71 B7R1.1 BrCC1=CCCC1 G-5335 [0,0,0,1,0,0|3,0,0]=4 72 B7R1.1 CNC1CCCC1 P36274 [0,0,0,1,0,0|2,0,1]=4 73 B7R1.1 COC1CCNC1 C-2248 [0,0,0,1,0,0|2,0,1]=4 74 B7R1.1 CO[C@@H]1CCNC1 C-2249 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.1 CO[C@H]1CCNC1 C-2250 [0,0,0,1,0,0|2,0,1]=4 76 B7R1.1 O=CC1=CCCC1 O33977 [0,0,0,1,0,0|3,0,0]=4 77 B7R1.2 CC1=NC(C)CO1 M15289 [0,0,0,1,0,0|2,0,0]=3 78 B7R1.2 CC1CCC(N)C1 Q56970 [0,0,0,1,0,0|2,0,1]=4 79 B7R1.2 CC1CNC(=O)C1 L13710 [0,0,0,1,0,0|1,0,0]=2 80 B7R1.2 CC1CNC(=O)O1 P51279 [0,0,0,1,0,0|2,0,0]=3 81 B7R1.2 C[C@@H]1CNC(=O)C1 L22301 [0,0,0,1,0,0|1,0,0]=2 82 B7R1.2 C[C@@H]1CNC(=O)O1 P42625 [0,0,0,1,0,0|2,0,0]=3 83 B7R1.2 C[C@@H]1CN[C@@H](C)C1 Q61627 [0,0,0,1,0,0|2,0,1]=4 84 B7R1.2 C[C@H]1CNC(=O)C1 L18264 [0,0,0,1,0,0|1,0,0]=2 85 B7R1.2 NC1CNC(=O)C1 G-6478 [0,0,0,1,0,0|2,0,0]=3 86 B7R1.2 NC1CNC(=O)C1 L13560 [0,0,0,1,0,0|2,0,0]=3 87 B7R1.2 N[C@@H]1CNC(=O)C1 L13184 [0,0,0,1,0,0|2,0,0]=3 88 B7R1.2 N[C@@H]1CNC(=O)C1 P44245 [0,0,0,1,0,0|2,0,0]=3 89 B7R1.2 N[C@H]1CNC(=O)C1 L13183 [0,0,0,1,0,0|2,0,0]=3 90 B7R1.2 O=C1C=CC(O)C1 O30118 [0,0,0,1,0,0|2,0,1]=4 91 B7R1.2 O=C1C=C[C@H](O)C1 Q54463 [0,0,0,1,0,0|2,0,1]=4 92 B7R1.2 O=C1CC(O)CN1 P39299 [0,0,0,1,0,0|2,0,0]=3 93 B7R1.2 O=C1CCC(=O)C1 I-9301 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.2 O=C1CCC(Br)C1 Q56972 [0,0,0,1,0,0|2,0,0]=3 95 B7R1.2 O=C1CCC(F)C1 Q55724 [0,0,0,1,0,0|2,0,0]=3 96 B7R1.2 O=C1CCC(O)C1 H-8145 [0,0,0,1,0,0|2,0,0]=3 97 B7R1.2 O=C1CNC(=O)C1 L18257 [0,0,0,1,0,0|2,0,1]=4 98 B7R1.2 O=C1C[C@@H](O)CN1 M22799 [0,0,0,1,0,0|2,0,0]=3 99 B7R1.2 O=C1C[C@@H](S)CN1 I-9138 [0,0,0,1,0,0|2,0,0]=3 100 B7R1.3 BrC1=CCCCC1 N24288 [0,0,0,1,0,0|2,0,0]=3 101 B7R1.3 BrC1=CCCNC1 Q65300 [0,0,0,1,0,0|3,0,0]=4 102 B7R1.3 C=C1CCCNC1 Q59836 [0,0,0,1,0,0|3,0,0]=4 103 B7R1.3 C=C1CCCOC1 Q54979 [0,0,0,1,0,0|3,0,0]=4 104 B7R1.3 C=C1CCNCC1 H-8338 [0,0,0,1,0,0|3,0,0]=4 105 B7R1.3 C=C1CCNCC1 Q55164 [0,0,0,1,0,0|3,0,0]=4 106 B7R1.3 C=C1CCOCC1 L13714 [0,0,0,1,0,0|3,0,0]=4 107 B7R1.3 CC1=CCCNC1 I-9121 [0,0,0,1,0,0|3,0,0]=4 108 B7R1.3 CC1=CCNCC1 I-9119 [0,0,0,1,0,0|3,0,0]=4 109 B7R1.3 CC1CNCCO1 B-1061 [0,0,0,1,0,0|2,0,1]=4 110 B7R1.3 CC1CNCCO1 B-1061-1 [0,0,0,1,0,0|2,0,1]=4 111 B7R1.3 C[C@@H]1CCCCN1 P40572 [0,0,0,1,0,0|2,0,1]=4 112 B7R1.3 C[C@@H]1CNCCO1 B-1063 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.3 C[C@@H]1CNCCO1 B-1063-1 [0,0,0,1,0,0|2,0,1]=4 114 B7R1.3 C[C@H]1CCCCN1 P38855 [0,0,0,1,0,0|2,0,1]=4 115 B7R1.3 C[C@H]1CCCCN1 Q54716 [0,0,0,1,0,0|2,0,1]=4 116 B7R1.3 C[C@H]1CNCCO1 B-1062 [0,0,0,1,0,0|2,0,1]=4 117 B7R1.3 C[C@H]1CNCCO1 B-1062-1 [0,0,0,1,0,0|2,0,1]=4 118 B7R1.3 N=C1NCCCO1 L19177 [0,0,0,1,0,0|2,0,0]=3 119 B7R1.3 NC1=NCCCN1 M15172 [0,0,0,1,0,0|3,0,0]=4 120 B7R1.3 O=C1C=CCCN1 O34600 [0,0,0,1,0,0|1,0,2]=4 121 B7R1.3 O=C1C=CCOC1 L22520 [0,0,0,1,0,0|2,0,1]=4 122 B7R1.3 O=C1C=COCC1 Q54629 [0,0,0,1,0,0|2,0,1]=4 123 B7R1.3 O=C1CC=CCC1 Q53604 [0,0,0,1,0,0|1,0,2]=4 124 B7R1.3 O=C1CCCNC1 A-184 [0,0,0,1,0,0|2,0,0]=3 125 B7R1.3 O=C1CCCOC1 G-6070 [0,0,0,1,0,0|2,0,0]=3 126 B7R1.3 O=C1CCCSC1 G-5937 [0,0,0,1,0,0|2,0,0]=3 127 B7R1.3 O=C1CCOCC1 B-1770 [0,0,0,1,0,0|2,0,0]=3 128 B7R1.3 O=C1CCSCC1 C-2949 [0,0,0,1,0,0|2,0,0]=3 129 B7R1.3 O=C1CNCCO1 O28295 [0,0,0,1,0,0|1,0,0]=2 130 B7R1.3 O=C1COCCN1 B-1038 [0,0,0,1,0,0|2,0,0]=3 131 B7R1.3 O=C1OCCCO1 P43743 [0,0,0,1,0,0|1,0,0]=2 132 B7R1.4 CC1CCNC1=O O30375 [0,0,0,1,0,0|2,0,0]=3 133 B7R1.4 CN1CCCC1=N Q59266 [0,0,0,1,0,0|2,0,0]=3 134 B7R1.4 CN1CCNC1=S O29860 [0,0,0,1,0,0|2,1,0]=4 135 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53279 [0,0,0,1,0,0|2,0,1]=4 136 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53280 [0,0,0,1,0,0|2,0,1]=4 137 B7R1.4 C[C@@H]1CCNC1=O Q61716 [0,0,0,1,0,0|2,0,0]=3 138 B7R1.4 C[C@H]1CCC[C@@H]1N Q53277 [0,0,0,1,0,0|2,0,1]=4 139 B7R1.4 C[C@H]1CCC[C@@H]1N Q53278 [0,0,0,1,0,0|2,0,1]=4 140 B7R1.4 C[C@H]1CCNC1=O Q61658 [0,0,0,1,0,0|2,0,0]=3 141 B7R1.4 NC1CCNC1=O F-4440 [0,0,0,1,0,0|3,0,0]=4 142 B7R1.4 NN1CCCC1=O P51102 [0,0,0,1,0,0|2,0,0]=3 143 B7R1.4 N[C@@H]1CCNC1=O F-4458 [0,0,0,1,0,0|3,0,0]=4 144 B7R1.4 N[C@H]1CCNC1=O F-4459 [0,0,0,1,0,0|3,0,0]=4 145 B7R1.4 N[C@H]1CCNC1=O L14236 [0,0,0,1,0,0|3,0,0]=4 146 B7R1.4 O=C1CCC=C1O A-670 [0,0,0,1,0,0|2,0,1]=4 147 B7R1.4 O=C1CCCC1=O L19145 [0,0,0,1,0,0|2,0,0]=3 148 B7R1.4 O=C1CCCC1O Q61720 [0,0,0,1,0,0|2,0,0]=3 149 B7R1.4 O=C1CCNC1=O Q62042 [0,0,0,1,0,0|3,0,0]=4 150 B7R1.4 O=C1NCCC1Br O31241 [0,0,0,1,0,0|3,0,0]=4 151 B7R1.4 O=C1NCCC1F Q62170 [0,0,0,1,0,0|3,0,0]=4 152 B7R1.4 O=C1NCCC1O D-2532 [0,0,0,1,0,0|3,0,0]=4 153 B7R1.4 O=C1NCC[C@@H]1F Q63592 [0,0,0,1,0,0|3,0,0]=4 154 B7R1.4 O=C1NCC[C@@H]1O F-4184 [0,0,0,1,0,0|3,0,0]=4 155 B7R1.4 O=C1NCC[C@H]1F Q63593 [0,0,0,1,0,0|3,0,0]=4 156 B7R1.4 O=C1NCC[C@H]1O O30124 [0,0,0,1,0,0|3,0,0]=4 157 B7R1.6 BrCCC1CCO1 Q56185 [0,0,0,1,0,0|2,0,1]=4 158 B7R1.6 CNCC1CCO1 Q55851 [0,0,0,1,0,0|2,0,1]=4 159 B7R1.6 ICCC1CCO1 Q56184 [0,0,0,1,0,0|2,0,1]=4 160 B7R1.6 NCCC1CCO1 O32973 [0,0,0,1,0,0|2,0,1]=4 161 B7R1.6 NCC[C@@H]1CCO1 Q56188 [0,0,0,1,0,0|2,0,1]=4 162 B7R1.6 NCC[C@H]1CCO1 Q56187 [0,0,0,1,0,0|2,0,1]=4 163 B7R1.6 OCCC1CCO1 F-4763 [0,0,0,1,0,0|2,0,1]=4 164 B7R1.6 OCC[C@@H]1CCO1 Q56146 [0,0,0,1,0,0|2,0,1]=4 165 B7R1.6 OCC[C@H]1CCO1 Q56145 [0,0,0,1,0,0|2,0,1]=4 166 B7R1.8 CC1OCC1CO Q56093 [0,0,0,1,0,0|2,0,1]=4 167 B7R1.8 COC1CCC1=O P45632 [0,0,0,1,0,0|2,0,0]=3 168 B7R1.8 NCC1CNC1=O P46897 [0,0,0,1,0,0|2,0,0]=3 169 B7R1.8 O=C1CCC1CO L18510 [0,0,0,1,0,0|2,0,0]=3 170 B7R1.10 COC1CC(Br)C1 P47967 [0,0,0,1,0,0|2,0,1]=4 171 B7R1.10 COC1CC(N)C1 C-3383 [0,0,0,1,0,0|2,0,1]=4 172 B7R1.10 COC1CC(N)C1 G-5007 [0,0,0,1,0,0|2,0,1]=4 173 B7R1.10 COC1CC(O)C1 P48191 [0,0,0,1,0,0|2,0,1]=4 174 B7R1.10 CO[C@H]1C[C@@H](N)C1 C-3621 [0,0,0,1,0,0|2,0,1]=4 175 B7R1.10 CO[C@H]1C[C@@H](N)C1 C-3621-1 [0,0,0,1,0,0|2,0,1]=4 176 B7R1.10 CO[C@H]1C[C@@H](O)C1 P46991 [0,0,0,1,0,0|2,0,1]=4 177 B7R1.10 CO[C@H]1C[C@H](Br)C1 P47002 [0,0,0,1,0,0|2,0,1]=4 178 B7R1.10 CO[C@H]1C[C@H](N)C1 C-3622 [0,0,0,1,0,0|2,0,1]=4 179 B7R1.10 CO[C@H]1C[C@H](N)C1 C-3622-1 [0,0,0,1,0,0|2,0,1]=4 180 B7R1.10 CO[C@H]1C[C@H](O)C1 P46971 [0,0,0,1,0,0|2,0,1]=4 181 B7R1.15 C[C@@H]1NC(=O)[C@H]1N 10677 [0,0,0,1,0,0|3,0,0]=4 182 B7R1.15 C[C@@H]1NC(=O)[C@H]1N 10678 [0,0,0,1,0,0|3,0,0]=4 183 B7R1.22 CCC(=O)C1CC1 I-9941 [0,0,0,1,0,0|1,0,0]=2 184 B7R1.22 CCC(N)C1CC1 L14734 [0,0,0,1,0,0|2,0,1]=4 185 B7R1.22 CCC(O)C1CC1 L14172 [0,0,0,1,0,0|1,0,2]=4 186 B7R1.22 CNC(C)C1CC1 P42683 [0,0,0,1,0,0|2,0,1]=4 187 B7R1.22 NNC(=O)C1CC1 G-5359 [0,0,0,1,0,0|2,0,0]=3 188 B7R1.25 CCC1(N)CCC1 P45271 [0,0,0,1,0,0|2,0,1]=4 189 B7R1.25 CCC1(N)CCC1 P45837 [0,0,0,1,0,0|2,0,1]=4 190 B7R1.25 COC1(C)CNC1 D-2562 [0,0,0,1,0,0|2,0,1]=4 191 B7R1.25 COC1(C)CNC1 P44994 [0,0,0,1,0,0|2,0,1]=4 192 B4R0.1 C#CC(C)=O P41295 [2,0,0,0,0,0|0,0,2]=4 193 B4R0.1 C=C(C)CN P39039 [2,0,0,0,0,0|2,0,0]=4 194 B4R0.1 CC(=O)CN P45193 [2,0,0,0,0,0|1,0,0]=3 195 B4R0.2 C=CCCN L22153 [2,0,0,0,0,0|1,0,1]=4 196 B4R0.2 CCCNN O30752 [2,0,0,0,0,0|2,0,0]=4 197 B4R0.2 CNCCBr O34465 [2,0,0,0,0,0|2,0,0]=4 198 B4R0.2 COCC=O F-4461 [2,0,0,0,0,0|1,0,0]=3 199 B4R0.2 COCCI O28025 [2,0,0,0,0,0|1,0,0]=3 200 B4R0.2 CSCCBr O31085 [2,0,0,0,0,0|1,1,0]=4 201 B4R0.2 CSCCN P36563 [2,0,0,0,0,0|1,1,0]=4 202 B6R0.2 CC(=O)NC(C)C P50955 [1,1,0,0,0,0|1,0,0]=3 203 B6R0.2 CC(C)C[C@@H](C)O Q70085 [1,1,0,0,0,0|0,0,2]=4 204 B6R0.2 CC(N)CN(C)C P42731 [1,1,0,0,0,0|2,0,0]=4 205 B6R0.2 CC(O)CC(=O)O P38963 [1,1,0,0,0,0|0,0,0]=2 206 B6R0.2 CN(C)CC(N)=O P36935 [1,1,0,0,0,0|2,0,0]=4 207 B6R0.2 C[C@@H](N)CC(=O)O P38442 [1,1,0,0,0,0|0,0,0]=2 208 B6R0.2 C[C@@H](N)CC(=O)O Q68956 [1,1,0,0,0,0|0,0,0]=2 209 B6R0.2 C[C@@H](N)CN(C)C P38236 [1,1,0,0,0,0|2,0,0]=4 210 B6R0.2 C[C@@H](O)CC(=O)O P36990 [1,1,0,0,0,0|0,0,0]=2 211 B6R0.2 C[C@H](N)CC(=O)O P38443 [1,1,0,0,0,0|0,0,0]=2 212 B6R0.2 C[C@H](N)CN(C)C P35926 [1,1,0,0,0,0|2,0,0]=4 213 B6R0.2 C[C@H](O)CC(=O)O P37046 [1,1,0,0,0,0|0,0,0]=2 214 B6R0.3 C=C[C@@H](C)C(=O)O H-8974 [1,1,0,0,0,0|0,0,2]=4 215 B6R0.3 C=C[C@H](C)C(=O)O H-8989 [1,1,0,0,0,0|0,0,2]=4 216 B6R0.3 CCC(C)C(C)N O31127 [1,1,0,0,0,0|1,0,1]=4 217 B6R0.3 CCC(N)C(C)O L20519 [1,1,0,0,0,0|0,0,2]=4 218 B6R0.3 CCC(N)C(N)=O P35312 [1,1,0,0,0,0|1,0,0]=3 219 B6R0.3 CC[C@@H](Br)C(=O)O P45858 [1,1,0,0,0,0|0,0,0]=2 220 B6R0.3 CC[C@@H](O)C(=O)O P40022 [1,1,0,0,0,0|0,0,0]=2 221 B6R0.3 CC[C@H](Br)C(=O)O P45751 [1,1,0,0,0,0|0,0,0]=2 222 B6R0.3 CC[C@H](O)C(=O)O P38746 [1,1,0,0,0,0|0,0,0]=2 223 B6R0.3 CNC(C)C(N)=O P41317 [1,1,0,0,0,0|2,0,0]=4 224 B6R0.3 CO[C@@H](C)C(=O)O I-9183 [1,1,0,0,0,0|1,0,0]=3 225 B6R0.3 C[C@@H](CN)C(=O)O Q69056 [1,1,0,0,0,0|1,0,0]=3 226 B6R0.3 C[C@@H](CN)C(=O)O Q69059 [1,1,0,0,0,0|1,0,0]=3 227 B6R0.3 C[C@H](CN)C(=O)O Q69061 [1,1,0,0,0,0|1,0,0]=3 228 B6R0.3 C[C@H](CN)C(=O)O Q69064 [1,1,0,0,0,0|1,0,0]=3 229 B6R0.3 C[C@H](CO)C(=O)O 10021 [1,1,0,0,0,0|1,0,0]=3 230 B6R0.3 C\C=C(/F)C(=O)O F-4310 [1,1,0,0,0,0|0,0,2]=4 231 B6R0.3 NCC(N)C(=O)O P37494 [1,1,0,0,0,0|1,0,0]=3 232 B6R0.3 NCC(O)C(=O)O O28965 [1,1,0,0,0,0|1,0,0]=3 233 B6R0.3 NC[C@@H](O)C(=O)O 10685 [1,1,0,0,0,0|1,0,0]=3 234 B6R0.3 NC[C@H](N)C(=O)O P40075 [1,1,0,0,0,0|1,0,0]=3 235 B6R0.4 C#CCNC(C)=O P36776 [1,1,0,0,0,0|0,0,2]=4 236 B6R0.4 CCNCC(=O)O P37534 [1,1,0,0,0,0|0,0,0]=2 237 B6R0.4 CCNCC(N)=O P36580 [1,1,0,0,0,0|1,0,0]=3 238 B6R0.4 CN(C)CCCBr O34500 [1,1,0,0,0,0|2,0,0]=4 239 B6R0.4 CNCCC(=O)O P36779 [1,1,0,0,0,0|0,0,0]=2 240 B6R0.4 CNCCC(=O)O P39205 [1,1,0,0,0,0|0,0,0]=2 241 B6R0.4 CNCCC(C)O P38146 [1,1,0,0,0,0|0,0,2]=4 242 B6R0.4 CNCCC(N)=O P37896 [1,1,0,0,0,0|1,0,0]=3 243 B6R0.4 O=C(O)\C=C\CBr P41388 [1,1,0,0,0,0|0,0,2]=4 244 B6R0.4 O=CNCC(=O)O P39379 [1,1,0,0,0,0|1,0,1]=4 245 B6R0.4 [N-]=[N+]=NCC(=O)O P40297 [1,1,0,0,0,0|2,0,0]=4 246 B6R0.5 CCCS(N)(=O)=O O34092 [1,1,0,0,0,0|1,0,1]=4 247 B6R0.5 CS(=O)(=O)CCBr H-8028 [1,1,0,0,0,0|2,0,0]=4 248 B6R0.5 CS(=O)(=O)CCCl O31078 [1,1,0,0,0,0|2,0,0]=4 249 B6R0.5 CS(=O)(=O)CCN P43261 [1,1,0,0,0,0|2,0,0]=4 250 B6R0.6 CNCCCCN L19491 [1,1,0,0,0,0|1,0,1]=4 251 B6R0.6 CNCCCOC P37437 [1,1,0,0,0,0|0,0,1]=3 252 B6R0.6 COCCCCN O29739 [1,1,0,0,0,0|0,0,1]=3 253 B8R0.2 CNC(=O)C(N)C(C)C P40222 [0,2,0,0,0,0|1,0,0]=3 254 B8R0.2 CNC(=O)[C@@H](N)C(C)C Q66204 [0,2,0,0,0,0|1,0,0]=3 255 B8R0.5 CCCC(=O)CC(C)=O O29704 [0,2,0,0,0,0|1,0,0]=3 256 B8R0.5 CCOC(=O)CC(C)N P42993 [0,2,0,0,0,0|0,0,0]=2 257 B8R0.5 CCOC(=O)C[C@@H](C)O P39378 [0,2,0,0,0,0|0,0,0]=2 258 B8R0.5 CCOC(=O)C[C@H](C)N Q68957 [0,2,0,0,0,0|0,0,0]=2 259 B8R0.5 CNCC(=O)NC(C)C P37714 [0,2,0,0,0,0|2,0,0]=4 260 B8R0.5 CNCC(=O)NC(C)C P42287 [0,2,0,0,0,0|2,0,0]=4 261 B8R0.23 CC(C)OC(=O)[C@@H](C)N P38334 [0,2,0,0,0,0|2,0,0]=4 262 B8R0.24 CNC(=O)OC(C)(C)C P40845 [0,2,0,0,0,0|2,0,0]=4 263 B8R0.1 C=CCOC(=O)CCC Q69608 [0,2,0,0,0,0|0,0,0]=2 264 B8R0.1 CCC#CC(=O)OCC Q56870 [0,2,0,0,0,0|0,0,1]=3 265 B8R0.1 CCCNC(=O)CCN P42190 [0,2,0,0,0,0|1,0,0]=3 266 B8R0.1 CCCNC(=O)CNC P35278 [0,2,0,0,0,0|1,0,0]=3 267 B8R0.1 CCCNC(=O)CNC P42832 [0,2,0,0,0,0|1,0,0]=3 268 B8R0.1 CCOC(=O)CN=[N+]=[N-] P36907 [0,2,0,0,0,0|2,0,0]=4 269 B8R0.3 C#CC[C@@H](N)C(=O)OC Q65834 [0,2,0,0,0,0|0,0,1]=3 270 B8R0.3 C#CC[C@H](N)C(=O)OC P40730 [0,2,0,0,0,0|0,0,1]=3 271 B8R0.3 C=C(CO)C(=O)OCC F-4649 [0,2,0,0,0,0|1,0,1]=4 272 B8R0.3 CCCC(N)C(=O)OC P43113 [0,2,0,0,0,0|0,0,0]=2 273 B8R0.3 CCOC(=O)C(C)CN P40244 [0,2,0,0,0,0|1,0,0]=3 274 B8R0.3 CCOC(=O)C(N)CC P37453 [0,2,0,0,0,0|0,0,0]=2 275 B8R0.3 CCOC(=O)C(O)CC P37661 [0,2,0,0,0,0|0,0,0]=2 276 B8R0.3 CCOC(=O)[C@@H](N)CC P35145 [0,2,0,0,0,0|0,0,0]=2 277 B8R0.3 CCOC(=O)[C@@H](N)CN P41065 [0,2,0,0,0,0|1,0,0]=3 278 B8R0.3 CCOC(=O)[C@H](N)CC P41834 [0,2,0,0,0,0|0,0,0]=2 279 B8R0.3 COCC(=O)N(C)OC P41688 [0,2,0,0,0,0|1,0,0]=3 280 B8R0.3 CON(C)C(=O)CC#N P38595 [0,2,0,0,0,0|1,0,1]=4 281 B8R0.3 CO\C=C(/I)C(=O)OC O32141 [0,2,0,0,0,0|0,0,2]=4 282 B8R0.6 CNCCCC(=O)OC H-8710 [0,2,0,0,0,0|0,0,0]=2 283 B8R0.6 COC(=O)CCCCN P38983 [0,2,0,0,0,0|0,0,0]=2 284 B8R0.8 CC(C)C(=O)NCCN P37576 [0,2,0,0,0,0|2,0,0]=4 285 B8R0.8 CNCCC(=O)N(C)C P40566 [0,2,0,0,0,0|1,0,0]=3 286 B8R0.9 CC(C)CNC(=O)CCl P38819 [0,2,0,0,0,0|2,0,0]=4 287 B8R0.9 COC(=O)CNC(C)=O P42621 [0,2,0,0,0,0|0,0,1]=3 288 B8R0.14 CCNC(=O)C(C)(C)N P42185 [0,2,0,0,0,0|2,0,0]=4 289 B8R0.14 CCNC(=O)C(C)(C)N P42279 [0,2,0,0,0,0|2,0,0]=4 290 B8R0.14 CCNC(=O)C(C)(C)O L20799 [0,2,0,0,0,0|2,0,0]=4 291 B8R0.14 CCOC(=O)C(C)(F)F P39038 [0,2,0,0,0,0|2,0,0]=4 292 B8R0.15 CCC[C@@H](NC)C(=O)O P36548 [0,2,0,0,0,0|1,0,1]=4 293 B8R0.15 CCC[C@H](NC)C(=O)O P40204 [0,2,0,0,0,0|1,0,1]=4 294 B8R0.13 CNC(=O)C(C)(C)CN P36242 [0,2,0,0,0,0|2,0,0]=4 295 B6R1.2 CC1CCCN1 Q61737 [1,0,0,1,0,0|1,0,1]=4 296 B6R1.2 C[C@@H]1CCCN1 L14631 [1,0,0,1,0,0|1,0,1]=4 297 B6R1.2 IC1CCCC1 I-9679 [1,0,0,1,0,0|1,0,1]=4 298 B6R1.2 NN1CCCC1 M23462 [1,0,0,1,0,0|2,0,0]=4 299 B6R1.2 O=C1CCNC1 C-2247 [1,0,0,1,0,0|1,0,0]=3 300 B6R1.2 O=C1CCNC1 S72535 [1,0,0,1,0,0|1,0,0]=3 301 B6R1.2 O=C1CCOC1 B-1767 [1,0,0,1,0,0|1,0,0]=3 302 B6R1.2 O=C1CCSC1 G-7753 [1,0,0,1,0,0|1,0,0]=3 303 B6R1.2 S=C1NCCO1 O31137 [1,0,0,1,0,0|1,1,0]=4 304 B6R1.5 C=C1CC(N)C1 P48610 [1,0,0,1,0,0|2,0,0]=4 305 B6R1.5 C=C1CC(O)C1 P45320 [1,0,0,1,0,0|2,0,0]=4 306 B6R1.5 CC1CC(=O)C1 L18001 [1,0,0,1,0,0|0,0,0]=2 307 B6R1.5 CC1CC(C)N1 P47027 [1,0,0,1,0,0|1,0,1]=4 308 B6R1.5 CC1CC(C)N1 P48835 [1,0,0,1,0,0|1,0,1]=4 309 B6R1.5 CC1CC(N)C1 P44935 [1,0,0,1,0,0|1,0,1]=4 310 B6R1.5 CC1CC(N)C1 P44936 [1,0,0,1,0,0|1,0,1]=4 311 B6R1.5 CC1CC(O)C1 P44316 [1,0,0,1,0,0|0,0,2]=4 312 B6R1.5 CN1CC(=O)C1 L18430 [1,0,0,1,0,0|1,0,0]=3 313 B6R1.5 CN1CC(=O)C1 P49738 [1,0,0,1,0,0|1,0,0]=3 314 B6R1.5 C[C@@H]1C[C@@H](C)N1 P45580 [1,0,0,1,0,0|1,0,1]=4 315 B6R1.5 C[C@H]1C[C@@H](C)N1 P50117 [1,0,0,1,0,0|1,0,1]=4 316 B6R1.5 C[C@H]1C[C@@H](N)C1 O33385 [1,0,0,1,0,0|1,0,1]=4 317 B6R1.5 C[C@H]1C[C@@H](N)C1 P46389 [1,0,0,1,0,0|1,0,1]=4 318 B6R1.5 C[C@H]1C[C@@H](O)C1 P46931 [1,0,0,1,0,0|0,0,2]=4 319 B6R1.5 C[C@H]1C[C@H](C)N1 P45579 [1,0,0,1,0,0|1,0,1]=4 320 B6R1.5 C[C@H]1C[C@H](N)C1 P46388 [1,0,0,1,0,0|1,0,1]=4 321 B6R1.5 C[C@H]1C[C@H](N)C1 P50114 [1,0,0,1,0,0|1,0,1]=4 322 B6R1.5 C[C@H]1C[C@H](O)C1 P47360 [1,0,0,1,0,0|0,0,2]=4 323 B6R1.5 NC1CC(=O)C1 C-3677 [1,0,0,1,0,0|1,0,0]=3 324 B6R1.5 NC1CC(=O)C1 P44186 [1,0,0,1,0,0|1,0,0]=3 325 B6R1.5 O=C1CC(Br)C1 G-6311 [1,0,0,1,0,0|1,0,0]=3 326 B6R1.5 O=C1CC(F)C1 H-8760 [1,0,0,1,0,0|1,0,0]=3 327 B6R1.5 O=C1CC(O)C1 F-4733 [1,0,0,1,0,0|1,0,0]=3 328 B6R1.10 CC1(Br)CCC1 P45156 [1,0,0,1,0,0|1,0,1]=4 329 B6R1.10 CC1(I)CCC1 P44701 [1,0,0,1,0,0|1,0,1]=4 330 B6R1.10 CC1(N)CCC1 L13595 [1,0,0,1,0,0|1,0,1]=4 331 B6R1.10 CC1(N)CCC1 P45646 [1,0,0,1,0,0|1,0,1]=4 332 B6R1.10 CC1(O)CCC1 P39996 [1,0,0,1,0,0|0,0,2]=4 333 B6R1.11 CC(N)C1CC1 A-640 [1,0,0,1,0,0|1,0,1]=4 334 B6R1.11 CC(N)C1CC1 A-640-HCL [1,0,0,1,0,0|1,0,1]=4 335 B6R1.11 C[C@@H](N)C1CC1 P46530 [1,0,0,1,0,0|1,0,1]=4 336 B6R1.11 C[C@H](N)C1CC1 L14639 [1,0,0,1,0,0|1,0,1]=4 337 B6R1.11 C[C@H](O)C1CC1 K13410 [1,0,0,1,0,0|0,0,2]=4 338 B6R1.1 C1=CCNCC1 C-2421 [1,0,0,1,0,0|2,0,0]=4 339 B6R1.1 C1=CCOCC1 G-7030 [1,0,0,1,0,0|2,0,0]=4 340 B6R1.4 CC1CNC1C P45190 [1,0,0,1,0,0|2,0,0]=4 341 B6R1.4 CC1CNC1C P46961 [1,0,0,1,0,0|2,0,0]=4 342 B6R1.6 BrCC1COC1 L21563 [1,0,0,1,0,0|1,0,1]=4 343 B6R1.6 CCC1CCN1 P47056 [1,0,0,1,0,0|2,0,0]=4 344 B6R1.6 CCC1CCN1 P48764 [1,0,0,1,0,0|2,0,0]=4 345 B6R1.6 CCC1CNC1 P45196 [1,0,0,1,0,0|1,0,1]=4 346 B6R1.6 CCC1CNC1 P47098 [1,0,0,1,0,0|1,0,1]=4 347 B6R1.6 CNC1CCC1 O34360 [1,0,0,1,0,0|1,0,1]=4 348 B6R1.6 CNC1CCC1 P45733 [1,0,0,1,0,0|1,0,1]=4 349 B6R1.6 CNC1COC1 C-2465 [1,0,0,1,0,0|1,0,1]=4 350 B6R1.6 COC1CNC1 D-2560 [1,0,0,1,0,0|1,0,1]=4 351 B6R1.6 COC1CNC1 P44584 [1,0,0,1,0,0|1,0,1]=4 352 B6R1.6 ClCC1COC1 P45001 [1,0,0,1,0,0|1,0,1]=4 353 B6R1.6 ICC1COC1 G-5215 [1,0,0,1,0,0|1,0,1]=4 354 B6R1.6 NCC1COC1 C-2244 [1,0,0,1,0,0|1,0,1]=4 355 B6R1.6 NCC1COC1 L21567 [1,0,0,1,0,0|1,0,1]=4 356 B6R1.6 OCC1COC1 C-2291 [1,0,0,1,0,0|1,0,1]=4 357 B6R1.6 ON=C1CCC1 P45801 [1,0,0,1,0,0|2,0,0]=4 358 B8R1.1 C=CC1CCC(=O)C1 Q57034 [0,1,0,1,0,0|1,0,1]=4 359 B8R1.1 C=CC1COC(=O)C1 F-4407 [0,1,0,1,0,0|0,0,1]=3 360 B8R1.1 CNC1CNC(=O)C1 L19088 [0,1,0,1,0,0|1,0,0]=3 361 B8R1.1 CN[C@H]1CNC(=O)C1 Q61671 [0,1,0,1,0,0|1,0,0]=3 362 B8R1.1 COC1CCC(N)C1 L22158 [0,1,0,1,0,0|1,0,1]=4 363 B8R1.1 COC1CCC(N)C1 Q52668 [0,1,0,1,0,0|1,0,1]=4 364 B8R1.1 COC1CCC(O)C1 Q57014 [0,1,0,1,0,0|1,0,1]=4 365 B8R1.1 CO[C@@H]1CC[C@@H](N)C1 O33204 [0,1,0,1,0,0|1,0,1]=4 366 B8R1.1 CO[C@@H]1CC[C@@H](N)C1 Q64245 [0,1,0,1,0,0|1,0,1]=4 367 B8R1.1 CO[C@@H]1CC[C@@H](O)C1 Q56989 [0,1,0,1,0,0|1,0,1]=4 368 B8R1.1 CO[C@@H]1CC[C@H](N)C1 Q64243 [0,1,0,1,0,0|1,0,1]=4 369 B8R1.1 CO[C@@H]1CC[C@H](N)C1 Q64248 [0,1,0,1,0,0|1,0,1]=4 370 B8R1.1 CO[C@@H]1CC[C@H](O)C1 Q57013 [0,1,0,1,0,0|1,0,1]=4 371 B8R1.1 CO[C@@H]1CN[C@@H](C)C1 Q61885 [0,1,0,1,0,0|1,0,1]=4 372 B8R1.1 CO[C@@H]1CN[C@H](C)C1 Q61884 [0,1,0,1,0,0|1,0,1]=4 373 B8R1.1 CO[C@H]1CC[C@@H](N)C1 O33413 [0,1,0,1,0,0|1,0,1]=4 374 B8R1.1 CO[C@H]1CC[C@@H](N)C1 Q64247 [0,1,0,1,0,0|1,0,1]=4 375 B8R1.1 CO[C@H]1CC[C@H](N)C1 Q64244 [0,1,0,1,0,0|1,0,1]=4 376 B8R1.1 CO[C@H]1CC[C@H](N)C1 Q64246 [0,1,0,1,0,0|1,0,1]=4 377 B8R1.1 CO[C@H]1CN[C@@H](C)C1 Q61883 [0,1,0,1,0,0|1,0,1]=4 378 B8R1.1 CO[C@H]1CN[C@H](C)C1 Q61886 [0,1,0,1,0,0|1,0,1]=4 379 B8R1.1 N#CC1CNC(=O)C1 P45137 [0,1,0,1,0,0|1,0,1]=4 380 B8R1.1 N#C[C@@H]1CCC(=O)C1 Q55084 [0,1,0,1,0,0|1,0,1]=4 381 B8R1.1 N#C[C@H]1CCC(=O)C1 Q55085 [0,1,0,1,0,0|1,0,1]=4 382 B8R1.1 NCC1CNC(=O)C1 G-5016 [0,1,0,1,0,0|1,0,0]=3 383 B8R1.1 NCC1CNC(=O)C1 G-5352 [0,1,0,1,0,0|1,0,0]=3 384 B8R1.1 NCC1CNC(=O)O1 F-4726 [0,1,0,1,0,0|2,0,0]=4 385 B8R1.1 NCC1CNC(=O)O1 L13152 [0,1,0,1,0,0|2,0,0]=4 386 B8R1.1 NCC1COC(=O)N1 L13942 [0,1,0,1,0,0|1,0,0]=3 387 B8R1.1 NC[C@@H]1CCC(=O)N1 10036 [0,1,0,1,0,0|2,0,0]=4 388 B8R1.1 NC[C@@H]1CCC(=O)N1 O33611 [0,1,0,1,0,0|2,0,0]=4 389 B8R1.1 NC[C@@H]1CNC(=O)C1 I-9821 [0,1,0,1,0,0|1,0,0]=3 390 B8R1.1 NC[C@@H]1CNC(=O)C1 L13273 [0,1,0,1,0,0|1,0,0]=3 391 B8R1.1 NC[C@@H]1CNC(=O)O1 L13195 [0,1,0,1,0,0|2,0,0]=4 392 B8R1.1 NC[C@H]1CCC(=O)N1 10096 [0,1,0,1,0,0|2,0,0]=4 393 B8R1.1 NC[C@H]1CNC(=O)C1 I-9497 [0,1,0,1,0,0|1,0,0]=3 394 B8R1.1 NC[C@H]1CNC(=O)C1 L13364 [0,1,0,1,0,0|1,0,0]=3 395 B8R1.1 NC[C@H]1CNC(=O)O1 L22235 [0,1,0,1,0,0|2,0,0]=4 396 B8R1.1 O=C1CC(CO)CN1 M22864 [0,1,0,1,0,0|1,0,0]=3 397 B8R1.1 O=C1CC(CO)CO1 H-8701 [0,1,0,1,0,0|0,0,0]=2 398 B8R1.1 O=C1CCC(CO)C1 Q62791 [0,1,0,1,0,0|1,0,0]=3 399 B8R1.1 O=C1CCC(CO)N1 M23573 [0,1,0,1,0,0|2,0,0]=4 400 B8R1.1 O=C1CC[C@@H](CBr)C1 Q64130 [0,1,0,1,0,0|1,0,0]=3 401 B8R1.1 O=C1CC[C@@H](CBr)N1 P36413 [0,1,0,1,0,0|2,0,0]=4 402 B8R1.1 O=C1CC[C@@H](CF)N1 Q59250 [0,1,0,1,0,0|2,0,0]=4 403 B8R1.1 O=C1CC[C@@H](CO)C1 Q62794 [0,1,0,1,0,0|1,0,0]=3 404 B8R1.1 O=C1CC[C@@H](CO)O1 K12361 [0,1,0,1,0,0|2,0,0]=4 405 B8R1.1 O=C1CC[C@H](CBr)C1 Q64129 [0,1,0,1,0,0|1,0,0]=3 406 B8R1.1 O=C1CC[C@H](CBr)N1 P34760 [0,1,0,1,0,0|2,0,0]=4 407 B8R1.1 O=C1CC[C@H](CO)C1 Q62792 [0,1,0,1,0,0|1,0,0]=3 408 B8R1.1 O=C1NCC(CO)O1 F-4693 [0,1,0,1,0,0|2,0,0]=4 409 B8R1.1 O=C1NC[C@@H](CO)O1 L13350 [0,1,0,1,0,0|2,0,0]=4 410 B8R1.1 O=C1N[C@@H](CI)CO1 10034 [0,1,0,1,0,0|1,0,0]=3 411 B8R1.1 O=C1N[C@@H](CO)CO1 10001 [0,1,0,1,0,0|1,0,0]=3 412 B8R1.1 O=C1N[C@@H](CO)CS1 K13391 [0,1,0,1,0,0|1,1,0]=4 413 B8R1.1 O=C1N[C@H](CO)CO1 10026 [0,1,0,1,0,0|1,0,0]=3 414 B8R1.1 O=C1N[C@H](CO)CS1 K13390 [0,1,0,1,0,0|1,1,0]=4 415 B8R1.4 C=C1CCOC(C)C1 Q54980 [0,1,0,1,0,0|2,0,0]=4 416 B8R1.4 CC1=CCCC(=O)C1 O32064 [0,1,0,1,0,0|1,0,1]=4 417 B8R1.4 CC1CC(=O)CCN1 D-2514 [0,1,0,1,0,0|1,0,0]=3 418 B8R1.4 CC1CC(=O)CCO1 A-836 [0,1,0,1,0,0|1,0,0]=3 419 B8R1.4 CC1CC(Br)CCO1 Q57805 [0,1,0,1,0,0|1,0,1]=4 420 B8R1.4 CC1CC(N)CCO1 A-878 [0,1,0,1,0,0|1,0,1]=4 421 B8R1.4 CC1CC(O)CCO1 A-877 [0,1,0,1,0,0|1,0,1]=4 422 B8R1.4 CC1CCNC(=O)C1 L13355 [0,1,0,1,0,0|1,0,0]=3 423 B8R1.4 CN1CCOC(=O)C1 Q54674 [0,1,0,1,0,0|1,0,0]=3 424 B8R1.4 C[C@@H]1CC(=O)CCN1 G-7641 [0,1,0,1,0,0|1,0,0]=3 425 B8R1.4 C[C@@H]1CC(=O)CCO1 H-8404 [0,1,0,1,0,0|1,0,0]=3 426 B8R1.4 C[C@@H]1CNCC(=O)N1 L13903 [0,1,0,1,0,0|2,0,0]=4 427 B8R1.4 C[C@@H]1C[C@H](N)CCO1 Q61448 [0,1,0,1,0,0|1,0,1]=4 428 B8R1.4 C[C@H]1CC(=O)CCN1 G-6964 [0,1,0,1,0,0|1,0,0]=3 429 B8R1.4 C[C@H]1CC(=O)CCN1 G-7640 [0,1,0,1,0,0|1,0,0]=3 430 B8R1.4 C[C@H]1CC(=O)CCN1 Q61425 [0,1,0,1,0,0|1,0,0]=3 431 B8R1.4 C[C@H]1CC(=O)CCO1 A-837 [0,1,0,1,0,0|1,0,0]=3 432 B8R1.4 C[C@H]1CNCC(=O)N1 G-7098 [0,1,0,1,0,0|2,0,0]=4 433 B8R1.4 C[C@H]1CNCC(=O)N1 H-8010 [0,1,0,1,0,0|2,0,0]=4 434 B8R1.4 NC1CCCC(=O)C1 P48005 [0,1,0,1,0,0|1,0,0]=3 435 B8R1.4 NC1CCNC(=O)C1 C-2485 [0,1,0,1,0,0|1,0,0]=3 436 B8R1.4 NC1COCC(=O)C1 P46448 [0,1,0,1,0,0|1,0,0]=3 437 B8R1.4 NC1COCC(=O)C1 Q61511 [0,1,0,1,0,0|1,0,0]=3 438 B8R1.4 O=C1CC(F)CCN1 Q54422 [0,1,0,1,0,0|1,0,0]=3 439 B8R1.4 O=C1CCCC(=O)C1 P44675 [0,1,0,1,0,0|1,0,1]=4 440 B8R1.4 O=C1CCCC(Br)C1 P45384 [0,1,0,1,0,0|1,0,0]=3 441 B8R1.4 O=C1CCCC(F)C1 P43987 [0,1,0,1,0,0|1,0,0]=3 442 B8R1.4 O=C1CCCC(O)C1 L18346 [0,1,0,1,0,0|1,0,0]=3 443 B8R1.4 O=C1CCC[C@H](O)C1 P47405 [0,1,0,1,0,0|1,0,0]=3 444 B8R1.4 O=C1CCNC(=O)C1 B-1275 [0,1,0,1,0,0|1,0,1]=4 445 B8R1.4 O=C1CCOC(=O)C1 H-8796 [0,1,0,1,0,0|0,0,1]=3 446 B8R1.4 O=C1COCC(=O)C1 G-6233 [0,1,0,1,0,0|1,0,1]=4 447 B8R1.4 O=C1COCC(F)C1 Q54617 [0,1,0,1,0,0|1,0,0]=3 448 B8R1.4 O=C1COCC(O)C1 Q54616 [0,1,0,1,0,0|1,0,0]=3 449 B8R1.4 O=S1CCCC(Br)C1 Q57991 [0,1,0,1,0,0|2,0,0]=4 450 B8R1.18 CN1CC(=O)CC1=O Q55049 [0,1,0,1,0,0|1,0,1]=4 451 B8R1.18 CN1CC(N)CC1=O I-9643 [0,1,0,1,0,0|1,0,0]=3 452 B8R1.18 CN1CC(O)CC1=O Q59318 [0,1,0,1,0,0|1,0,0]=3 453 B8R1.40 COC(=O)C=C1CC1 H-8420 [0,1,0,1,0,0|0,0,1]=3 454 B8R1.40 COC(=O)CC1CC1 G-7131 [0,1,0,1,0,0|0,0,0]=2 455 B8R1.40 NCC(=O)NC1CC1 P36714 [0,1,0,1,0,0|2,0,0]=4 456 B8R1.51 CC1(C)CC(=O)CN1 Q56039 [0,1,0,1,0,0|2,0,0]=4 457 B8R1.51 CC1(C)CC(=O)CN1 Q56040 [0,1,0,1,0,0|2,0,0]=4 458 B8R1.51 CC1(C)CC(=O)NO1 Q70064 [0,1,0,1,0,0|2,0,0]=4 459 B8R1.51 CC1(C)CCC(=O)C1 L21292 [0,1,0,1,0,0|1,0,0]=3 460 B8R1.51 CC1(C)CCC(=O)N1 P43256 [0,1,0,1,0,0|2,0,0]=4 461 B8R1.51 CC1(C)CNC(=O)C1 P36730 [0,1,0,1,0,0|1,0,0]=3 462 B8R1.51 CC1(C)COC(=O)N1 C-3461 [0,1,0,1,0,0|1,0,0]=3 463 B8R1.51 CC1(C)COC(=S)N1 O31778 [0,1,0,1,0,0|1,1,0]=4 464 B8R1.51 CC1(O)CNC(=O)C1 Q59288 [0,1,0,1,0,0|1,0,0]=3 465 B8R1.51 C[C@@H]1COS(=O)(=O)O1 O34489 [0,1,0,1,0,0|2,0,0]=4 466 B8R1.51 C[C@H]1COS(=O)(=O)O1 O34412 [0,1,0,1,0,0|2,0,0]=4 467 B8R1.51 O=C1CCC(F)(F)C1 H-8755 [0,1,0,1,0,0|2,0,0]=4 468 B8R1.2 BrCC1=CCCCC1 G-7545 [0,1,0,1,0,0|2,0,0]=4 469 B8R1.2 C#CC1CCCCO1 Q62780 [0,1,0,1,0,0|1,0,1]=4 470 B8R1.2 C#C[C@@H]1CCCCO1 Q62782 [0,1,0,1,0,0|1,0,1]=4 471 B8R1.2 C#C[C@H]1CCCCO1 Q62781 [0,1,0,1,0,0|1,0,1]=4 472 B8R1.2 COC1=CCOCC1 G-7495 [0,1,0,1,0,0|1,0,0]=3 473 B8R1.2 COC1CCCNC1 C-3504 [0,1,0,1,0,0|1,0,1]=4 474 B8R1.2 COC1CCCNC1 M22805 [0,1,0,1,0,0|1,0,1]=4 475 B8R1.2 COC1CCNCC1 C-2394 [0,1,0,1,0,0|1,0,1]=4 476 B8R1.2 COC1CCNCC1 C-3203 [0,1,0,1,0,0|1,0,1]=4 477 B8R1.2 CON1CCNCC1 H-8599 [0,1,0,1,0,0|2,0,0]=4 478 B8R1.2 CO[C@@H]1CCCNC1 G-7538 [0,1,0,1,0,0|1,0,1]=4 479 B8R1.2 CO[C@@H]1CCCNC1 L13637 [0,1,0,1,0,0|1,0,1]=4 480 B8R1.2 CO[C@H]1CCCNC1 G-5239 [0,1,0,1,0,0|1,0,1]=4 481 B8R1.2 CO[C@H]1CCCNC1 L21633 [0,1,0,1,0,0|1,0,1]=4 482 B8R1.2 NCC1=CCCCC1 P38792 [0,1,0,1,0,0|2,0,0]=4 483 B8R1.2 NC[C@@H]1CCCCO1 Q62567 [0,1,0,1,0,0|1,0,1]=4 484 B8R1.2 NC[C@H]1CCCCO1 Q62568 [0,1,0,1,0,0|1,0,1]=4 485 B8R1.2 O=CC1CCCCO1 Q60246 [0,1,0,1,0,0|0,0,1]=3 486 B8R1.2 OCC1=CCCCO1 Q54672 [0,1,0,1,0,0|0,0,2]=4 487 B8R1.2 OC[C@@H]1CCCCO1 F-4789 [0,1,0,1,0,0|0,0,2]=4 488 B8R1.2 OC[C@H]1CCCCO1 P43928 [0,1,0,1,0,0|0,0,2]=4 489 B8R1.3 C=C1CCC(=O)CC1 P44029 [0,1,0,1,0,0|1,0,1]=4 490 B8R1.3 C=C1CCC(N)CC1 L19013 [0,1,0,1,0,0|2,0,0]=4 491 B8R1.3 CC1C=CC(=O)CC1 K12331 [0,1,0,1,0,0|1,0,1]=4 492 B8R1.3 CC1CCC(=O)NC1 L13409 [0,1,0,1,0,0|1,0,0]=3 493 B8R1.3 CC1CNC(=O)CN1 P35228 [0,1,0,1,0,0|1,0,0]=3 494 B8R1.3 CC1COC(C)CN1 P42779 [0,1,0,1,0,0|1,0,1]=4 495 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56751 [0,1,0,1,0,0|1,0,0]=3 496 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56752 [0,1,0,1,0,0|1,0,0]=3 497 B8R1.3 C[C@@H]1CNC(=O)CN1 L14453 [0,1,0,1,0,0|1,0,0]=3 498 B8R1.3 C[C@@H]1CO[C@H](C)CN1 H-8048 [0,1,0,1,0,0|1,0,1]=4 499 B8R1.3 C[C@@H]1CO[C@H](C)CN1 K16121 [0,1,0,1,0,0|1,0,1]=4 500 B8R1.3 C[C@H]1CCC(=O)CN1 Q56753 [0,1,0,1,0,0|1,0,0]=3 501 B8R1.3 C[C@H]1CCC(=O)CN1 Q56754 [0,1,0,1,0,0|1,0,0]=3 502 B8R1.3 C[C@H]1CNC(=O)CN1 L13879 [0,1,0,1,0,0|1,0,0]=3 503 B8R1.3 C[C@H]1CN[C@H](C)CO1 F-4331 [0,1,0,1,0,0|1,0,1]=4 504 B8R1.3 C[C@H]1CO[C@@H](C)CN1 M23096 [0,1,0,1,0,0|1,0,1]=4 505 B8R1.3 C[C@H]1CO[C@@H](C)CN1 O32398 [0,1,0,1,0,0|1,0,1]=4 506 B8R1.3 C[C@H]1CO[C@H](C)CN1 H-8444 [0,1,0,1,0,0|1,0,1]=4 507 B8R1.3 NC1CCC(=O)CC1 P36686 [0,1,0,1,0,0|1,0,0]=3 508 B8R1.3 NC1CCC(=O)NC1 C-3401 [0,1,0,1,0,0|1,0,0]=3 509 B8R1.3 NC1CCS(=O)CC1 Q54883 [0,1,0,1,0,0|2,0,0]=4 510 B8R1.3 NC1CCS(=O)CC1 Q54884 [0,1,0,1,0,0|2,0,0]=4 511 B8R1.3 N[C@@H]1CCC(=O)NC1 L21492 [0,1,0,1,0,0|1,0,0]=3 512 B8R1.3 N[C@H]1CCC(=O)NC1 L21629 [0,1,0,1,0,0|1,0,0]=3 513 B8R1.3 O=C1CCC(=O)NC1 Q52611 [0,1,0,1,0,0|1,0,1]=4 514 B8R1.3 O=C1CCC(=O)OC1 K12424 [0,1,0,1,0,0|0,0,1]=3 515 B8R1.3 O=C1CCC(Br)CC1 P39565 [0,1,0,1,0,0|1,0,0]=3 516 B8R1.3 O=C1CCC(F)CC1 L21631 [0,1,0,1,0,0|1,0,0]=3 517 B8R1.3 O=C1CCC(F)CN1 Q54421 [0,1,0,1,0,0|1,0,0]=3 518 B8R1.3 O=C1CC[C@H](O)CN1 Q52728 [0,1,0,1,0,0|1,0,0]=3 519 B8R1.3 O=S1CCC(O)CC1 Q57900 [0,1,0,1,0,0|2,0,0]=4 520 B8R1.5 CC1CCCNC1=O L13669 [0,1,0,1,0,0|1,0,0]=3 521 B8R1.5 CC1CCNCC1=O F-4040 [0,1,0,1,0,0|1,0,0]=3 522 B8R1.5 CC1CNCCC1=O O34502 [0,1,0,1,0,0|1,0,0]=3 523 B8R1.5 CC1COCCC1=O F-4697 [0,1,0,1,0,0|1,0,0]=3 524 B8R1.5 CC1NCCNC1=O O34501 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.5 CN1CCNCC1=O G-5499 [0,1,0,1,0,0|1,0,0]=3 526 B8R1.5 CN1CCNCC1=O G-5499-1 [0,1,0,1,0,0|1,0,0]=3 527 B8R1.5 C[C@@H]1NCCNC1=O O34331 [0,1,0,1,0,0|2,0,0]=4 528 B8R1.5 C[C@H]1NCCNC1=O O34330 [0,1,0,1,0,0|2,0,0]=4 529 B8R1.5 NC1CCCCC1=O P45934 [0,1,0,1,0,0|1,0,0]=3 530 B8R1.5 NN1CCCCC1=O B-1138 [0,1,0,1,0,0|1,0,0]=3 531 B8R1.5 N[C@@H]1CCCNC1=O O34375 [0,1,0,1,0,0|1,0,0]=3 532 B8R1.5 N[C@H]1CCCNC1=O O34462 [0,1,0,1,0,0|1,0,0]=3 533 B8R1.5 O=C1CCCCC1Br L21639 [0,1,0,1,0,0|1,0,0]=3 534 B8R1.5 O=C1CCCCC1F P45307 [0,1,0,1,0,0|1,0,0]=3 535 B8R1.5 O=C1CCCNC1=O S72799 [0,1,0,1,0,0|1,0,1]=4 536 B8R1.5 O=C1CCNCC1Br Q52493 [0,1,0,1,0,0|2,0,0]=4 537 B8R1.5 O=C1CCNCC1F G-7340 [0,1,0,1,0,0|2,0,0]=4 538 B8R1.5 O=C1CCNCC1F Q56501 [0,1,0,1,0,0|2,0,0]=4 539 B8R1.5 O=C1CCOCC1Br C-3416 [0,1,0,1,0,0|2,0,0]=4 540 B8R1.5 O=C1CCOCC1F G-7272 [0,1,0,1,0,0|2,0,0]=4 541 B8R1.5 O=C1CCOC[C@H]1F Q52309 [0,1,0,1,0,0|2,0,0]=4 542 B8R1.5 O=C1COCCC1Br Q54651 [0,1,0,1,0,0|2,0,0]=4 543 B8R1.5 O=C1NCCCC1Br L18696 [0,1,0,1,0,0|1,0,0]=3 544 B8R1.5 O=C1NCCC[C@@H]1O P36280 [0,1,0,1,0,0|1,0,0]=3 545 B8R1.5 O=C1NCCC[C@H]1O P39619 [0,1,0,1,0,0|1,0,0]=3 546 B8R1.5 O=C1OCCCC1Br L20669 [0,1,0,1,0,0|0,0,0]=2 547 B8R1.22 O=C1CCCNCC1 A-576 [0,1,0,1,0,0|1,0,0]=3 548 B8R1.22 O=C1CCNCCN1 Q52595 [0,1,0,1,0,0|1,0,0]=3 549 B8R1.22 O=C1CNCCCN1 O34379 [0,1,0,1,0,0|1,0,0]=3 550 B8R1.22 O=C1CNCCNC1 P46870 [0,1,0,1,0,0|2,0,0]=4 551 B8R1.38 C=CC(=O)N1CCC1 P44698 [0,1,0,1,0,0|1,0,1]=4 552 B8R1.38 CCC(=O)C1CCC1 P45339 [0,1,0,1,0,0|1,0,0]=3 553 B8R1.38 CCC(=O)C1COC1 Q56142 [0,1,0,1,0,0|1,0,0]=3 554 B8R1.38 CNC(=O)C1CCC1 P49094 [0,1,0,1,0,0|1,0,0]=3 555 B8R1.38 CNC(=O)C1CNC1 P45048 [0,1,0,1,0,0|1,0,0]=3 556 B8R1.38 CNC(=O)C1CNC1 P45049 [0,1,0,1,0,0|1,0,0]=3 557 B8R1.38 COC(=O)C1C=CC1 P47818 [0,1,0,1,0,0|0,0,1]=3 558 B8R1.38 COC(=O)C1CCC1 P45206 [0,1,0,1,0,0|0,0,0]=2 559 B8R1.38 COC(=O)C1CCN1 F-4237 [0,1,0,1,0,0|0,0,0]=2 560 B8R1.38 COC(=O)C1CNC1 A-420 [0,1,0,1,0,0|0,0,0]=2 561 B8R1.38 COC(=O)C1CNC1 F-4426 [0,1,0,1,0,0|0,0,0]=2 562 B8R1.38 COC(=O)C1COC1 L13768 [0,1,0,1,0,0|0,0,0]=2 563 B8R1.38 COC(=O)[C@@H]1CCN1 G-7134 [0,1,0,1,0,0|0,0,0]=2 564 B8R1.38 COC(=O)[C@H]1CCN1 G-7965 [0,1,0,1,0,0|0,0,0]=2 565 B8R1.38 NCC(=O)C1CCC1 L19863 [0,1,0,1,0,0|2,0,0]=4 566 B8R1.38 NCC(=O)N1CCC1 P42497 [0,1,0,1,0,0|2,0,0]=4 567 B8R1.38 NNC(=O)C1CCC1 P44614 [0,1,0,1,0,0|2,0,0]=4 568 B8R1.38 O=C(CBr)C1CCC1 P44370 [0,1,0,1,0,0|2,0,0]=4 569 B8R1.38 O=C(CBr)N1CCC1 P44519 [0,1,0,1,0,0|2,0,0]=4 570 B8R1.38 O=C(CCl)C1CCC1 P45495 [0,1,0,1,0,0|2,0,0]=4 571 B8R1.38 O=C(CCl)N1CCC1 P34713 [0,1,0,1,0,0|2,0,0]=4 572 B8R1.38 O=C(CO)C1CCC1 P45459 [0,1,0,1,0,0|2,0,0]=4 573 B8R1.38 O=C(NO)C1CCC1 P45195 [0,1,0,1,0,0|2,0,0]=4 574 B8R1.47 COC1CC(CN)C1 P44011 [0,1,0,1,0,0|1,0,1]=4 575 B8R1.47 COC1CC(CO)C1 P45045 [0,1,0,1,0,0|1,0,1]=4 576 B8R1.47 CO[C@H]1C[C@@H](CN)C1 L21686 [0,1,0,1,0,0|1,0,1]=4 577 B8R1.47 CO[C@H]1C[C@@H](CN)C1 P43904 [0,1,0,1,0,0|1,0,1]=4 578 B8R1.47 CO[C@H]1C[C@@H](CO)C1 P44710 [0,1,0,1,0,0|1,0,1]=4 579 B8R1.47 CO[C@H]1C[C@H](CN)C1 O33186 [0,1,0,1,0,0|1,0,1]=4 580 B8R1.47 CO[C@H]1C[C@H](CN)C1 P48158 [0,1,0,1,0,0|1,0,1]=4 581 B8R1.47 CO[C@H]1C[C@H](CO)C1 P46301 [0,1,0,1,0,0|1,0,1]=4 582 B8R1.50 CC1C(=O)CCN1C Q52697 [0,1,0,1,0,0|1,0,0]=3 583 B8R1.50 CC1CCN(C)C1=O O30589 [0,1,0,1,0,0|1,0,0]=3 584 B8R1.50 CN1CCC(=O)C1=O Q59432 [0,1,0,1,0,0|1,0,1]=4 585 B8R1.50 CN1CCC(O)C1=O Q62094 [0,1,0,1,0,0|1,0,0]=3 586 B8R1.50 CN1CC[C@@H](N)C1=O Q62091 [0,1,0,1,0,0|1,0,0]=3 587 B8R1.50 CN1CC[C@@H](N)C1=O Q63628 [0,1,0,1,0,0|1,0,0]=3 588 B8R1.50 CN1CC[C@H](N)C1=O Q62092 [0,1,0,1,0,0|1,0,0]=3 589 B8R1.50 CN1CC[C@H](N)C1=O Q63629 [0,1,0,1,0,0|1,0,0]=3 590 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53540 [0,1,0,1,0,0|2,0,0]=4 591 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53541 [0,1,0,1,0,0|2,0,0]=4 592 B8R1.58 CC1(CN)CNC1=O P47474 [0,1,0,1,0,0|2,0,0]=4 593 B8R1.58 CC1(CO)COC1=O Q62787 [0,1,0,1,0,0|1,0,0]=3 594 B8R1.58 CCC1(C)CCC1=O P45220 [0,1,0,1,0,0|1,0,0]=3 595 B8R1.19 CC1(C)CCCC1=O L21296 [0,1,0,1,0,0|1,0,0]=3 596 B8R1.19 CC1(C)CCNC1=O O30964 [0,1,0,1,0,0|2,0,0]=4 597 B8R1.19 CC1(C)OCCC1=O Q63498 [0,1,0,1,0,0|2,0,0]=4 598 B8R1.24 CC1(C)C(=O)CC1O P48188 [0,1,0,1,0,0|2,0,0]=4 599 B8R1.37 CCCC(=O)C1CC1 P45338 [0,1,0,1,0,0|1,0,0]=3 600 B8R1.54 CC(Br)C(=O)C1CC1 L14735 [0,1,0,1,0,0|1,0,0]=3 601 B8R1.8 COCC1CCCN1 O28849 [0,1,0,1,0,0|1,0,1]=4 602 B8R1.8 COC[C@@H]1CCCN1 L14013 [0,1,0,1,0,0|1,0,1]=4 603 B8R1.8 COC[C@H]1CCCN1 P35868 [0,1,0,1,0,0|1,0,1]=4 604 B8R1.11 CNC1CCNC1=O L20781 [0,1,0,1,0,0|2,0,0]=4 605 B8R1.11 COC1CCCC1N Q59137 [0,1,0,1,0,0|1,0,1]=4 606 B8R1.11 COC1CCCC1N Q59138 [0,1,0,1,0,0|1,0,1]=4 607 B8R1.11 CO[C@@H]1CCC[C@@H]1N Q52259 [0,1,0,1,0,0|1,0,1]=4 608 B8R1.11 CO[C@@H]1CCC[C@@H]1N Q52260 [0,1,0,1,0,0|1,0,1]=4 609 B8R1.11 CO[C@@H]1CCC[C@H]1N Q56991 [0,1,0,1,0,0|1,0,1]=4 610 B8R1.11 CO[C@H]1CCC[C@@H]1N Q52257 [0,1,0,1,0,0|1,0,1]=4 611 B8R1.11 CO[C@H]1CCC[C@@H]1N Q56990 [0,1,0,1,0,0|1,0,1]=4 612 B8R1.11 N#CC1COCC1=O L22433 [0,1,0,1,0,0|1,0,1]=4 613 B8R1.11 O=C1NCCC1CO L13115 [0,1,0,1,0,0|2,0,0]=4 614 B8R1.66 COCC1(N)CCC1 P49294 [0,1,0,1,0,0|1,0,1]=4 615 B8R1.66 COCC1(N)CCC1 P49768 [0,1,0,1,0,0|1,0,1]=4 616 B8R1.39 CC1(C(=O)NN)CC1 O34335 [0,1,0,1,0,0|2,0,0]=4 617 B8R1.39 COC(=O)C1(N)CC1 I-9591 [0,1,0,1,0,0|0,0,0]=2 618 B8R1.39 COC(=O)C1(O)CC1 I-9203 [0,1,0,1,0,0|0,0,0]=2 619 B8R1.60 CCC1(C=O)CCC1 P44073 [0,1,0,1,0,0|1,0,1]=4 620 B8R1.60 COC1(C#N)CCC1 P48141 [0,1,0,1,0,0|1,0,1]=4 621 B8R1.60 COC1(C=O)CCC1 P49097 [0,1,0,1,0,0|0,0,1]=3 622 B8R1.60 COC1(CN)CCC1 P48127 [0,1,0,1,0,0|1,0,1]=4 623 B8R1.60 COC1(CN)CCC1 P48138 [0,1,0,1,0,0|1,0,1]=4 624 B8R1.60 COC1(OC)CCC1 P45609 [0,1,0,1,0,0|0,0,2]=4 625 B8R2.55 C1CCC2(C1)CO2 Q61872 [0,0,0,2,0,0|1,0,1]=4 626 B8R2.4 O=C1CC2CC1C2 P45525 [0,0,0,2,0,0|1,0,0]=3 627 B8R2.38 O=C1CC[C@@H]2C[C@H]12 Q52888 [0,0,0,2,0,0|1,0,0]=3 628 B8R2.38 O=C1CC[C@H]2C[C@@H]12 Q52887 [0,0,0,2,0,0|1,0,0]=3 629 B8R2.38 O=C1CNC2CC12 H-8711 [0,0,0,2,0,0|2,0,0]=4 630 B8R2.38 O=C1NCC2CC12 Q61923 [0,0,0,2,0,0|1,0,0]=3 631 B8R2.19 O=C1CCC12CC2 L22262 [0,0,0,2,0,0|1,0,0]=3