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NC(CCF)C(=O)O Z2470036329 [0,0,0,0,0,0|2,0,0]=2 18 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,0,0,0,0,0|1,1,0]=2 19 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,0,0,0,0,0|3,0,0]=3 20 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,0,0,0,0,0|2,0,0]=2 21 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,0,0,0,0,0|3,0,0]=3 22 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,0,0,0,0,0|1,1,0]=2 23 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,0,0,0,0,0|1,1,0]=2 24 B6R0.1 C=CCC(N)CO Z1815149150 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.1 COCC(N)CO Z1945984156 [1,0,0,0,0,0|1,1,1]=4 26 B6R0.1 CSCC(C)CO Z1270310211 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.1 CSCC(O)CO Z1126770422 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.3 C=CC(N)C(=O)O Z3244810526 [1,0,0,0,0,0|1,0,1]=3 29 B6R0.3 CC(C#N)C(=O)O Z852759720 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.3 CC(CN)C(=O)O Z431542704 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.3 CC(CO)C(=O)O Z431541400 [1,0,0,0,0,0|1,1,0]=3 32 B6R0.3 CC(O)C(N)CN Z1250080890 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.3 CCC(C)C(=O)N Z270978420 [1,0,0,0,0,0|3,0,0]=4 34 B6R0.3 CCC(C)C(=O)O Z237374874 [1,0,0,0,0,0|2,0,0]=3 35 B6R0.3 CCC(N)C(=O)O Z104495144 [1,0,0,0,0,0|1,0,0]=2 36 B6R0.3 CCC(O)C(=O)N Z965049008 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.3 CCC(O)C(=O)O Z246073650 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [1,0,0,0,0,0|1,0,0]=2 39 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [1,0,0,0,0,0|2,0,0]=3 40 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [1,0,0,0,0,0|1,0,0]=2 41 B6R0.3 CNC(C)C(=O)O Z1278590830 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.3 COC(C)C(=O)O Z316258898 [1,0,0,0,0,0|2,1,0]=4 43 B6R0.3 CSC(C)C(=O)O Z149191750 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.3 NC(CO)C(=O)O Z57396986 [1,0,0,0,0,0|0,1,0]=2 45 B6R0.3 NC(CS)C(=O)O Z966690626 [1,0,0,0,0,0|0,0,0]=1 46 B6R0.3 NCC(N)C(=O)O Z2465863279 [1,0,0,0,0,0|1,0,0]=2 47 B6R0.3 NCC(O)C(=O)N Z1889902538 [1,0,0,0,0,0|3,0,0]=4 48 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [1,0,0,0,0,0|2,0,0]=3 49 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [1,0,0,0,0,0|0,1,0]=2 50 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [1,0,0,0,0,0|0,0,0]=1 51 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [1,0,0,0,0,0|0,1,0]=2 52 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.4 C#CCCC(=O)O Z295890062 [1,0,0,0,0,0|2,0,0]=3 54 B6R0.4 C=CCCC(=O)C Z406376894 [1,0,0,0,0,0|3,0,0]=4 55 B6R0.4 C=CCCC(=O)O Z995028722 [1,0,0,0,0,0|2,0,0]=3 56 B6R0.4 CC(=O)CCC#N Z1251352415 [1,0,0,0,0,0|3,0,0]=4 57 B6R0.4 CCCCC(=O)N Z104476278 [1,0,0,0,0,0|3,0,0]=4 58 B6R0.4 CCCCC(=O)O Z104473312 [1,0,0,0,0,0|2,0,0]=3 59 B6R0.4 CCNCC(=O)O Z744593094 [1,0,0,0,0,0|3,0,0]=4 60 B6R0.4 CCOCC(=O)O Z104495232 [1,0,0,0,0,0|3,0,0]=4 61 B6R0.4 CNCCC(=O)C Z1536943318 [1,0,0,0,0,0|3,0,0]=4 62 B6R0.4 COCCC(=O)C Z362119682 [1,0,0,0,0,0|2,1,0]=4 63 B6R0.4 COCCC(=O)N Z394696458 [1,0,0,0,0,0|2,1,0]=4 64 B6R0.4 COCCC(=O)O Z285184634 [1,0,0,0,0,0|1,1,0]=3 65 B6R0.4 CS/C=C/C(=O)O Z1868430572 [1,0,0,0,0,0|1,0,2]=4 66 B6R0.4 CSCCC(=N)N Z1266823407 [1,0,0,0,0,0|3,0,0]=4 67 B6R0.4 CSCCC(=O)O Z54719251 [1,0,0,0,0,0|1,0,0]=2 68 B6R0.4 N#CCCC(=O)N Z57160408 [1,0,0,0,0,0|3,0,0]=4 69 B6R0.4 NC(=O)CCCO Z1203578394 [1,0,0,0,0,0|2,1,0]=4 70 B6R0.4 NCCCC(=O)N Z398513418 [1,0,0,0,0,0|3,0,0]=4 71 B6R0.4 NCCCC(=O)O Z104475620 [1,0,0,0,0,0|2,0,0]=3 72 B6R0.4 NCCCS(=O)O Z1203579399 [1,0,0,0,0,0|3,0,0]=4 73 B6R0.4 O=C(O)CCCS Z147642510 [1,0,0,0,0,0|1,0,0]=2 74 B8R0.2 C=CC(C)C(C)C(=O)O Z1205494257 [0,1,0,0,0,0|3,0,0]=4 75 B8R0.2 CC(CN)C(F)C(=O)O Z3556611783 [0,1,0,0,0,0|3,0,0]=4 76 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [0,1,0,0,0,0|3,0,0]=4 77 B8R0.2 CCC(C)C(N)C(=O)N Z56979347 [0,1,0,0,0,0|3,0,0]=4 78 B8R0.2 CCC(C)C(N)C(=O)O Z104473608 [0,1,0,0,0,0|2,0,0]=3 79 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Z1203578023 [0,1,0,0,0,0|2,0,0]=3 80 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Z1203578040 [0,1,0,0,0,0|2,0,0]=3 81 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Z1205494177 [0,1,0,0,0,0|3,0,0]=4 82 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Z1201618644 [0,1,0,0,0,0|2,0,0]=3 83 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Z756427442 [0,1,0,0,0,0|2,0,0]=3 84 B8R0.2 COC(C)C(O)C(=O)O Z1509040637 [0,1,0,0,0,0|2,1,0]=4 85 B8R0.2 CSC(C)C(N)C(=O)O Z4511736963 [0,1,0,0,0,0|1,0,0]=2 86 B8R0.2 CSC(C)C(O)C(=O)O Z2787457174 [0,1,0,0,0,0|2,0,0]=3 87 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Z3270796459 [0,1,0,0,0,0|3,0,0]=4 88 B8R0.3 C=CCC(N)C(=O)OC Z3067784225 [0,1,0,0,0,0|2,0,0]=3 89 B8R0.3 CCCC(N)C(=O)NC Z1449756374 [0,1,0,0,0,0|3,0,0]=4 90 B8R0.3 CCCC(N)C(=O)NO Z1184862965 [0,1,0,0,0,0|2,0,0]=3 91 B8R0.3 CCCC(N)C(=O)OC Z1592042299 [0,1,0,0,0,0|2,0,0]=3 92 B8R0.3 COC(=O)C(C)CCN Z3025061158 [0,1,0,0,0,0|3,0,0]=4 93 B8R0.8 C#CCOC(C)C(=O)O Z362807268 [0,1,0,0,0,0|3,0,0]=4 94 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [0,1,0,0,0,0|2,0,0]=3 95 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [0,1,0,0,0,0|2,0,0]=3 96 B8R0.8 C=CCOC(C)C(=O)O Z362807816 [0,1,0,0,0,0|3,0,0]=4 97 B8R0.8 CC#CCC(N)C(=O)O Z1691545116 [0,1,0,0,0,0|2,0,0]=3 98 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,1,0,0,0,0|3,0,0]=4 99 B8R0.8 CCCCC(N)C(=O)O Z57127434 [0,1,0,0,0,0|2,0,0]=3 100 B8R0.8 CCCCC(O)C(=O)O Z803065156 [0,1,0,0,0,0|3,0,0]=4 101 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [0,1,0,0,0,0|2,0,0]=3 102 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [0,1,0,0,0,0|2,0,0]=3 103 B8R0.8 CCOCC(C)C(=O)O Z431541098 [0,1,0,0,0,0|2,1,0]=4 104 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [0,1,0,0,0,0|1,1,0]=3 105 B8R0.8 COCCC(C)C(=O)O Z756390554 [0,1,0,0,0,0|2,1,0]=4 106 B8R0.8 COCCC(N)C(=O)O Z317025018 [0,1,0,0,0,0|1,1,0]=3 107 B8R0.8 CSCCC(N)C(=O)O Z57127440 [0,1,0,0,0,0|1,0,0]=2 108 B8R0.8 CSCCC(O)C(=O)O Z788000926 [0,1,0,0,0,0|2,0,0]=3 109 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [0,1,0,0,0,0|1,0,0]=2 110 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [0,1,0,0,0,0|1,0,0]=2 111 B8R0.8 N#CCCC(N)C(=O)N Z4876440061 [0,1,0,0,0,0|3,0,0]=4 112 B8R0.8 NCCCC(N)C(=O)O Z104476736 [0,1,0,0,0,0|2,0,0]=3 113 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [0,1,0,0,0,0|2,0,0]=3 114 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [0,1,0,0,0,0|2,0,0]=3 115 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [0,1,0,0,0,0|1,1,0]=3 116 B8R0.12 CC(C)(CCN)C(=O)O Z1198151185 [0,1,0,0,0,0|3,0,0]=4 117 B8R0.12 CC(N)(CCF)C(=O)O Z2509305784 [0,1,0,0,0,0|2,0,0]=3 118 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [0,1,0,0,0,0|2,0,0]=3 119 B8R0.12 CCCC(C)(O)C(=O)O Z788000960 [0,1,0,0,0,0|3,0,0]=4 120 B8R0.12 COCC(C)(C)C(=O)O Z1198275672 [0,1,0,0,0,0|2,1,0]=4 121 B8R0.12 COCC(C)(N)C(=O)N Z1267773731 [0,1,0,0,0,0|2,1,0]=4 122 B8R0.12 COCC(C)(N)C(=O)O Z1346385711 [0,1,0,0,0,0|1,1,0]=3 123 B8R0.12 COCC(C)(O)C(=O)O Z992448466 [0,1,0,0,0,0|2,1,0]=4 124 B8R0.12 CSCC(C)(C)C(=O)O Z1205494330 [0,1,0,0,0,0|2,0,0]=3 125 B8R0.12 NCCC(F)(F)C(=O)O Z2310718931 [0,1,0,0,0,0|3,0,0]=4 126 B8R0.15 CCCC(CC)C(=O)O Z756391368 [0,1,0,0,0,0|3,0,0]=4 127 B8R0.15 CCCC(CN)C(=O)O Z970060188 [0,1,0,0,0,0|2,0,0]=3 128 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [0,1,0,0,0,0|3,0,0]=4 129 B8R0.15 CNC(COC)C(=O)O Z1250132318 [0,1,0,0,0,0|1,1,0]=3 130 B8R0.15 CN[C@@H](COC)C(=O)N Z2213893319 [0,1,0,0,0,0|2,1,0]=4 131 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [0,1,0,0,0,0|2,0,0]=3 132 B8R0.23 C=C(Cl)CC(N)C(=O)O Z2689845474 [0,1,0,0,0,0|2,0,0]=3 133 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [0,1,0,0,0,0|3,0,0]=4 134 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [0,1,0,0,0,0|2,0,0]=3 135 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [0,1,0,0,0,0|2,0,0]=3 136 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [0,1,0,0,0,0|2,0,0]=3 137 B8R0.23 CC(CC(=O)N)C(=O)O Z1203581899 [0,1,0,0,0,0|2,1,0]=4 138 B8R0.23 CC(CC(F)F)C(=O)O Z1198342616 [0,1,0,0,0,0|3,0,0]=4 139 B8R0.23 CC(CN(C)C)C(=O)O Z2106602539 [0,1,0,0,0,0|3,0,0]=4 140 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [0,1,0,0,0,0|1,1,1]=4 141 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [0,1,0,0,0,0|3,0,0]=4 142 B8R0.23 CN(C)CC(O)C(=O)O Z1205494800 [0,1,0,0,0,0|3,0,0]=4 143 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [0,1,0,0,0,0|1,1,0]=3 144 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [0,1,0,0,0,0|1,1,0]=3 145 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [0,1,0,0,0,0|1,1,0]=3 146 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [0,1,0,0,0,0|2,1,0]=4 147 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [0,1,0,0,0,0|1,1,0]=3 148 B8R0.23 NC(CC(F)F)C(=O)O Z1250080925 [0,1,0,0,0,0|2,0,0]=3 149 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [0,1,0,0,0,0|1,1,0]=3 150 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [0,1,0,0,0,0|1,1,0]=3 151 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [0,1,0,0,0,0|2,1,0]=4 152 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [0,1,0,0,0,0|2,1,0]=4 153 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [0,1,0,0,0,0|2,1,0]=4 154 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [0,1,0,0,0,0|2,1,0]=4 155 B8R1.5 NC1CCCCC1=O Z2186882796 [0,0,0,1,0,0|3,0,0]=4 156 B8R1.5 NC1CCCNC1=O Z993991168 [0,0,0,1,0,0|3,0,0]=4 157 B8R1.7 NC(=O)C1CCCN1 Z56945990 [0,0,0,1,0,0|3,0,0]=4 158 B8R1.7 NC(=O)C1CSCN1 Z316101160 [0,0,0,1,0,0|2,0,0]=3 159 B8R1.7 O=C(O)C1C=CCN1 Z2902023058 [0,0,0,1,0,0|2,0,1]=4 160 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [0,0,0,1,0,0|3,0,0]=4 161 B8R1.7 O=C(O)C1CCCC1 Z104476116 [0,0,0,1,0,0|3,0,0]=4 162 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,0,0,1,0,0|2,0,0]=3 163 B8R1.7 O=C(O)C1CCCO1 Z104486102 [0,0,0,1,0,0|3,0,0]=4 164 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [0,0,0,1,0,0|3,0,0]=4 165 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [0,0,0,1,0,0|3,0,0]=4 166 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [0,0,0,1,0,0|3,0,0]=4 167 B8R1.7 O=C(O)C1CCOC1 Z381356480 [0,0,0,1,0,0|2,1,0]=4 168 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [0,0,0,1,0,0|2,0,0]=3 169 B8R1.7 O=C(O)C1CSCN1 Z104495996 [0,0,0,1,0,0|1,0,0]=2 170 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [0,0,0,1,0,0|3,0,0]=4 171 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,0,0,1,0,0|2,0,0]=3 172 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [0,0,0,1,0,0|1,0,0]=2 173 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,0,0,1,0,0|2,0,0]=3 174 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [0,0,0,1,0,0|1,0,0]=2 175 B8R1.18 CC1CC(C(=O)O1)N Z118507726 [0,0,0,1,0,0|2,0,0]=3 176 B8R1.18 CN1CC(C(=O)N1)N Z1332661939 [0,0,0,1,0,0|3,0,0]=4 177 B8R1.18 NC1CC(=O)NC1=O Z2901974060 [0,0,0,1,0,0|2,1,0]=4 178 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [0,0,0,1,0,0|3,0,0]=4 179 B8R1.23 CN1CC(C1)C(=O)O Z1198330195 [0,0,0,1,0,0|3,0,0]=4 180 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O Z360056576 [0,0,0,1,0,0|3,0,0]=4 181 B8R1.23 O=C1CC(C1)C(=O)O Z235344247 [0,0,0,1,0,0|2,1,0]=4 182 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [0,0,0,1,0,0|2,0,0]=3 183 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [0,0,0,1,0,0|3,0,0]=4 184 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O Z2310010920 [0,0,0,1,0,0|3,0,0]=4 185 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O Z2310010923 [0,0,0,1,0,0|3,0,0]=4 186 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Z3718352401 [0,0,0,1,0,0|3,0,0]=4 187 B8R1.43 O=C[C@@H]1C[C@H]1C(=O)O Z3664810585 [0,0,0,1,0,0|2,1,0]=4 188 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Z2944291920 [0,0,0,1,0,0|2,1,0]=4 189 B8R1.54 CC(C(=O)O)C1CC1 Z792377292 [0,0,0,1,0,0|3,0,0]=4 190 B8R1.54 NC(=O)C(N)C1CC1 Z3183923231 [0,0,0,1,0,0|3,0,0]=4 191 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [0,0,0,1,0,0|2,0,0]=3 192 B8R1.54 O=C(O)C(O)C1CC1 Z802856440 [0,0,0,1,0,0|3,0,0]=4 193 B8R1.78 CC1(CCC1)C(=O)O Z1205493900 [0,0,0,1,0,0|3,0,0]=4 194 B8R1.78 CC1(CNC1)C(=O)O Z3071128920 [0,0,0,1,0,0|3,0,0]=4 195 B8R1.78 CC1(COC1)C(=O)O Z1198234535 [0,0,0,1,0,0|2,1,0]=4 196 B8R1.78 NC(=O)C1(CCC1)N Z1483991927 [0,0,0,1,0,0|3,0,0]=4 197 B8R1.78 NC(=O)C1(CNC1)N Z1262579255 [0,0,0,1,0,0|3,0,0]=4 198 B8R1.78 NC1(CCC1)C(=O)O Z1431905448 [0,0,0,1,0,0|2,0,0]=3 199 B8R1.78 NC1(CNC1)C(=O)O Z2867454580 [0,0,0,1,0,0|2,0,0]=3 200 B8R1.78 O=C(O)C1(CCC1)Br Z220564362 [0,0,0,1,0,0|3,0,0]=4 201 B8R1.78 O=C(O)C1(CCC1)O Z220564366 [0,0,0,1,0,0|3,0,0]=4 202 B8R1.78 O=C(O)C1(CNC1)O Z2630949328 [0,0,0,1,0,0|3,0,0]=4 203 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [0,0,0,0,0,1|3,0,0]=4 204 B8R0.5 CCCC(C)CC(=O)O Z352782810 [0,0,0,0,0,1|3,0,0]=4 205 B8R0.5 CCCC(O)CC(=O)O Z982132146 [0,0,0,0,0,1|3,0,0]=4 206 B8R0.5 COCC(C)CC(=O)O Z992443864 [0,0,0,0,0,1|2,1,0]=4 207 B5R0.1 C#CCC(=O)O Z295890060 [2,0,0,0,0,0|1,0,1]=4 208 B5R0.1 CC(=O)CCO Z906206900 [2,0,0,0,0,0|1,1,0]=4 209 B5R0.1 CCCC(=O)N Z33546461 [2,0,0,0,0,0|2,0,0]=4 210 B5R0.1 CCCC(=O)O Z104495380 [2,0,0,0,0,0|1,0,0]=3 211 B5R0.1 CNCC(=O)O Z104480276 [2,0,0,0,0,0|2,0,0]=4 212 B5R0.1 COCC(=O)O Z104477404 [2,0,0,0,0,0|1,1,0]=4 213 B5R0.1 CSCC(=O)N Z33545668 [2,0,0,0,0,0|1,0,1]=4 214 B5R0.1 CSCC(C)O Z732208306 [2,0,0,0,0,0|2,0,0]=4 215 B5R0.1 N#CCC(=O)O Z104476112 [2,0,0,0,0,0|1,0,1]=4 216 B5R0.1 NC(=O)CCO Z431951940 [2,0,0,0,0,0|1,1,0]=4 217 B5R0.1 NCCC(=O)N Z415728050 [2,0,0,0,0,0|2,0,0]=4 218 B5R0.1 NCCC(=O)O Z57127544 [2,0,0,0,0,0|1,0,0]=3 219 B5R0.1 NOCC(=O)O Z90662171 [2,0,0,0,0,0|1,1,0]=4 220 B5R0.1 O=C(O)CCCl Z203045320 [2,0,0,0,0,0|1,0,0]=3 221 B5R0.1 O=C(O)CCS Z104474322 [2,0,0,0,0,0|0,0,0]=2 222 B5R0.1 O=C(O)CNO Z1205493750 [2,0,0,0,0,0|1,1,0]=4 223 B5R0.2 CCCCC=O Z104472992 [2,0,0,0,0,0|2,0,0]=4 224 B5R0.3 C=CC(N)CO Z2146514374 [2,0,0,0,0,0|1,1,0]=4 225 B5R0.3 CC(CO)CS Z1262475362 [2,0,0,0,0,0|1,0,1]=4 226 B5R0.3 CCC(N)CO Z104474862 [2,0,0,0,0,0|1,0,1]=4 227 B5R0.3 CC[C@@H](N)CO Z1203162359 [2,0,0,0,0,0|1,0,1]=4 228 B5R0.3 CC[C@H](N)CO Z1203162358 [2,0,0,0,0,0|1,0,1]=4 229 B5R0.3 NC(CO)CO Z1203577940 [2,0,0,0,0,0|0,1,1]=4 230 B5R0.3 OCC(O)CS Z1255382958 [2,0,0,0,0,0|1,0,1]=4 231 B5R0.5 CC(=O)C(=O)O Z104495240 [2,0,0,0,0,0|1,0,1]=4 232 B5R0.5 CC(=O)C(C)N Z1263529525 [2,0,0,0,0,0|1,0,0]=3 233 B5R0.5 CC(Br)C(=O)O Z57127555 [2,0,0,0,0,0|1,0,0]=3 234 B5R0.5 CC(C)C(=O)N Z57046209 [2,0,0,0,0,0|2,0,0]=4 235 B5R0.5 CC(C)C(=O)O Z104473380 [2,0,0,0,0,0|1,0,0]=3 236 B5R0.5 CC(Cl)C(=O)N Z56924427 [2,0,0,0,0,0|2,0,0]=4 237 B5R0.5 CC(Cl)C(=O)O Z147646840 [2,0,0,0,0,0|1,0,0]=3 238 B5R0.5 CC(N)C(=O)N Z54749436 [2,0,0,0,0,0|1,0,0]=3 239 B5R0.5 CC(N)C(=O)O Z57396987 [2,0,0,0,0,0|0,0,0]=2 240 B5R0.5 CC(O)C(=O)N Z57206008 [2,0,0,0,0,0|2,0,0]=4 241 B5R0.5 CC(S)C(=O)O Z104477082 [2,0,0,0,0,0|1,0,0]=3 242 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [2,0,0,0,0,0|0,0,0]=2 243 B5R0.5 C[C@H](N)C(=O)N Z359371050 [2,0,0,0,0,0|1,0,0]=3 244 B5R0.5 C[C@H](N)C(=O)O Z756424912 [2,0,0,0,0,0|0,0,0]=2 245 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [2,0,0,0,0,0|2,0,0]=4 246 B5R0.5 O=C(O)C(F)F Z104474070 [2,0,0,0,0,0|2,0,0]=4 247 B7R0.13 CC(Br)(CBr)C(=O)O Z104503534 [1,1,0,0,0,0|2,0,0]=4 248 B7R0.13 CC(C)(CF)C(=O)O Z1205495490 [1,1,0,0,0,0|2,0,0]=4 249 B7R0.13 CC(C)(CN)C(=O)O Z2235387237 [1,1,0,0,0,0|2,0,0]=4 250 B7R0.13 CC(C)(CO)C(=O)O Z997726628 [1,1,0,0,0,0|1,1,0]=4 251 B7R0.13 CC(N)(CN)C(=O)O Z2050725177 [1,1,0,0,0,0|1,0,0]=3 252 B7R0.13 CC(N)(CO)C(=O)O Z1509051726 [1,1,0,0,0,0|0,1,0]=3 253 B7R0.13 CC(O)(CO)C(=O)O Z1205493767 [1,1,0,0,0,0|1,1,0]=4 254 B7R0.13 CCC(C)(Br)C(=O)O Z1198221945 [1,1,0,0,0,0|2,0,0]=4 255 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [1,1,0,0,0,0|2,0,0]=4 256 B7R0.13 CCC(C)(N)C(=O)N Z992716994 [1,1,0,0,0,0|2,0,0]=4 257 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [1,1,0,0,0,0|1,0,0]=3 258 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [1,1,0,0,0,0|2,0,0]=4 259 B7R0.13 CSC(C)(C)C(=O)O Z803544000 [1,1,0,0,0,0|2,0,0]=4 260 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [1,1,0,0,0,0|1,0,1]=4 261 B7R0.15 CCC(NC)C(=O)O Z818727142 [1,1,0,0,0,0|1,0,0]=3 262 B7R0.15 CCC(OC)C(=O)O Z449367058 [1,1,0,0,0,0|2,0,0]=4 263 B7R0.15 CCC(SC)C(=O)O Z732206700 [1,1,0,0,0,0|2,0,0]=4 264 B7R0.15 CNC(CN)C(=O)O Z1982493964 [1,1,0,0,0,0|1,0,0]=3 265 B7R0.15 COC(CN)C(=O)O Z1603778808 [1,1,0,0,0,0|1,1,0]=4 266 B7R0.15 NCC(CN)C(=O)O Z5183354524 [1,1,0,0,0,0|1,0,0]=3 267 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [1,1,0,0,0,0|2,0,0]=4 268 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [1,1,0,0,0,0|2,0,0]=4 269 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [1,1,0,0,0,0|2,0,0]=4 270 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [1,1,0,0,0,0|2,0,0]=4 271 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [1,1,0,0,0,0|1,0,0]=3 272 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [1,1,0,0,0,0|2,0,0]=4 273 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [1,1,0,0,0,0|2,0,0]=4 274 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [1,1,0,0,0,0|1,0,0]=3 275 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [1,1,0,0,0,0|1,0,0]=3 276 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [1,1,0,0,0,0|2,0,0]=4 277 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [1,1,0,0,0,0|1,1,0]=4 278 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [1,1,0,0,0,0|0,1,0]=3 279 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [1,1,0,0,0,0|0,1,0]=3 280 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [1,1,0,0,0,0|0,1,0]=3 281 B7R0.4 C#CCNCC(=O)O Z2513337624 [1,1,0,0,0,0|2,0,0]=4 282 B7R0.4 C#CCOCC(=O)O Z362807246 [1,1,0,0,0,0|2,0,0]=4 283 B7R0.4 C#CCSCC(=O)O Z149151642 [1,1,0,0,0,0|2,0,0]=4 284 B7R0.4 C=CCCCC(=O)O Z1205493561 [1,1,0,0,0,0|2,0,0]=4 285 B7R0.4 C=CCNCC(=O)O Z803145546 [1,1,0,0,0,0|2,0,0]=4 286 B7R0.4 C=CCOCC(=O)O Z362807794 [1,1,0,0,0,0|2,0,0]=4 287 B7R0.4 C=CCSCC(=O)O Z149151274 [1,1,0,0,0,0|2,0,0]=4 288 B7R0.4 CC#CCCC(=O)O Z1205493674 [1,1,0,0,0,0|2,0,0]=4 289 B7R0.4 CCCCCC(=O)O Z104503532 [1,1,0,0,0,0|2,0,0]=4 290 B7R0.4 CCCNCC(=O)O Z744582718 [1,1,0,0,0,0|2,0,0]=4 291 B7R0.4 CCCOCC(=O)O Z406677750 [1,1,0,0,0,0|2,0,0]=4 292 B7R0.4 CCCSCC(=O)O Z228425458 [1,1,0,0,0,0|2,0,0]=4 293 B7R0.4 CCNCCC(=O)O Z1869802098 [1,1,0,0,0,0|2,0,0]=4 294 B7R0.4 CCOCCC(=O)O Z316258938 [1,1,0,0,0,0|1,1,0]=4 295 B7R0.4 CCSCCC(=O)O Z197206046 [1,1,0,0,0,0|1,0,0]=3 296 B7R0.4 CNCCCC(=O)O Z57043473 [1,1,0,0,0,0|2,0,0]=4 297 B7R0.4 COCCCC(=O)O Z316258912 [1,1,0,0,0,0|1,1,0]=4 298 B7R0.4 CSCCCC(=O)O Z54602911 [1,1,0,0,0,0|1,0,0]=3 299 B7R0.4 N#CCCCC(=O)O Z1198152304 [1,1,0,0,0,0|2,0,0]=4 300 B7R0.4 N#CCSCC(=O)O Z19691779 [1,1,0,0,0,0|2,0,0]=4 301 B7R0.4 NCCCCC(=O)O Z271111992 [1,1,0,0,0,0|2,0,0]=4 302 B7R0.4 NCCNCC(=O)O Z2692249907 [1,1,0,0,0,0|2,0,0]=4 303 B7R0.4 NCCOCC(=O)O Z1650039500 [1,1,0,0,0,0|2,0,0]=4 304 B7R0.4 NCCSCC(=O)O Z1381287295 [1,1,0,0,0,0|2,0,0]=4 305 B7R0.4 O=C(O)CCCCBr Z104479696 [1,1,0,0,0,0|2,0,0]=4 306 B7R0.4 O=C(O)CCCCS Z808230828 [1,1,0,0,0,0|1,0,0]=3 307 B7R0.4 O=C(O)CNCCO Z425411352 [1,1,0,0,0,0|1,1,0]=4 308 B7R0.6 CC(=O)CCC(=O)O Z104477318 [1,1,0,0,0,0|1,1,0]=4 309 B7R0.6 CC(C)CCC(=O)O Z56347204 [1,1,0,0,0,0|2,0,0]=4 310 B7R0.6 CC(N)CCC(=O)O Z1235963367 [1,1,0,0,0,0|2,0,0]=4 311 B7R0.6 CC(O)CCC(=O)O Z838959470 [1,1,0,0,0,0|1,1,0]=4 312 B7R0.6 CN(C)CCC(=O)O Z168912830 [1,1,0,0,0,0|2,0,0]=4 313 B7R0.6 CS(=O)CCC(=O)O Z667974346 [1,1,0,0,0,0|0,1,1]=4 314 B7R0.6 O=C(O)CCC(=O)O Z57127453 [1,1,0,0,0,0|1,1,0]=4 315 B9R0.34 C#CCC(N)CC(=O)OC Z3825461044 [0,1,0,0,0,1|2,0,0]=4 316 B9R0.34 CCCC(N)CC(=O)OC Z1582263053 [0,1,0,0,0,1|2,0,0]=4 317 B9R0.53 CC(C)CC(N)CC(=O)O Z3251695059 [0,1,0,0,0,1|2,0,0]=4 318 B9R0.58 COCC(C)(N)CC(=O)O Z3379727619 [0,1,0,0,0,1|1,1,0]=4 319 B9R0.27 C=CC(C)C(N)C(=O)OC Z1592025232 [0,2,0,0,0,0|2,0,0]=4 320 B9R0.27 CCC(C)C(N)C(=O)OC Z90123616 [0,2,0,0,0,0|2,0,0]=4 321 B9R0.29 CCC(C)C(NC)C(=O)O Z2472857058 [0,2,0,0,0,0|2,0,0]=4 322 B9R0.32 CCC(C)(C)C(N)C(=O)O Z2429425649 [0,2,0,0,0,0|2,0,0]=4 323 B9R0.41 CCC(CC)C(N)C(=O)O Z1269638502 [0,2,0,0,0,0|2,0,0]=4 324 B9R0.79 CC(C)C(C)C(N)C(=O)O Z1203580293 [0,2,0,0,0,0|2,0,0]=4 325 B9R0.8 CCCCC(N)C(=O)NO Z1184862892 [0,2,0,0,0,0|2,0,0]=4 326 B9R0.8 CCCCC(N)C(=O)OC Z1675167157 [0,2,0,0,0,0|2,0,0]=4 327 B9R0.8 COCCC(N)C(=O)OC Z2168389573 [0,2,0,0,0,0|1,1,0]=4 328 B9R0.60 CCCC(C)(N)C(=O)OC Z324254272 [0,2,0,0,0,0|2,0,0]=4 329 B9R0.60 COCC(C)(N)C(=O)OC Z898422656 [0,2,0,0,0,0|1,1,0]=4 330 B9R0.7 CC(=CCC(N)C(=O)O)C Z317024968 [0,2,0,0,0,0|2,0,0]=4 331 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [0,2,0,0,0,0|1,1,0]=4 332 B9R0.7 CC(C)CCC(N)C(=O)O Z1259339953 [0,2,0,0,0,0|2,0,0]=4 333 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [0,2,0,0,0,0|0,1,1]=4 334 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [0,2,0,0,0,0|1,1,0]=4 335 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [0,2,0,0,0,0|1,1,0]=4 336 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [0,2,0,0,0,0|1,1,0]=4 337 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [0,2,0,0,0,0|1,1,0]=4 338 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [0,2,0,0,0,0|1,1,0]=4 339 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [0,2,0,0,0,0|1,1,0]=4 340 B9R0.13 COC(CCSC)C(=O)O Z1592680734 [0,2,0,0,0,0|2,0,0]=4 341 B9R0.42 CCC(=O)CC(N)C(=O)O Z1820077230 [0,2,0,0,0,0|1,1,0]=4 342 B9R0.42 CCC(C)CC(N)C(=O)O Z2306603552 [0,2,0,0,0,0|2,0,0]=4 343 B9R0.42 COC(=O)C[C@H](N)C(=O)O Z1079458540 [0,2,0,0,0,0|1,1,0]=4 344 B9R0.47 C#CCCCC(N)C(=O)O Z3325155760 [0,2,0,0,0,0|2,0,0]=4 345 B9R0.47 C=CCCCC(N)C(=O)O Z2906280520 [0,2,0,0,0,0|2,0,0]=4 346 B9R0.47 CC(CSCCN)C(=O)O Z2379806326 [0,2,0,0,0,0|2,0,0]=4 347 B9R0.47 CCCSCC(N)C(=O)O Z444349874 [0,2,0,0,0,0|1,0,0]=3 348 B9R0.47 COCCCC(N)C(=O)O Z1428160326 [0,2,0,0,0,0|1,1,0]=4 349 B9R0.47 CSCCCC(N)C(=O)O Z3274997631 [0,2,0,0,0,0|1,0,0]=3 350 B9R0.47 NCC#CCC(N)C(=O)O Z1650644415 [0,2,0,0,0,0|2,0,0]=4 351 B9R0.47 NCCCCC(N)C(=O)O Z57127389 [0,2,0,0,0,0|2,0,0]=4 352 B9R0.47 NCCCC[C@H](N)C(=O)O Z812534818 [0,2,0,0,0,0|2,0,0]=4 353 B9R0.11 CC(C)CC(C)(N)C(=O)O Z4767745729 [0,2,0,0,0,0|2,0,0]=4 354 B9R0.74 CCC(N)(COC)C(=O)O Z2217033049 [0,2,0,0,0,0|1,1,0]=4 355 B9R0.74 CNC(C)(COC)C(=O)O Z2234185714 [0,2,0,0,0,0|1,1,0]=4 356 B9R0.74 COCC(C)(CN)C(=O)O Z5935120070 [0,2,0,0,0,0|1,1,0]=4 357 B9R0.15 NCCC(CCN)C(=O)O Z1415893857 [0,2,0,0,0,0|2,0,0]=4 358 B9R0.33 CCCC(C(=O)O)N(C)C Z448003350 [0,2,0,0,0,0|2,0,0]=4 359 B9R0.33 CN(C)C(CCO)C(=O)O Z5134019755 [0,2,0,0,0,0|1,1,0]=4 360 B9R0.33 COCC(C(=O)O)N(C)C Z4653441284 [0,2,0,0,0,0|1,1,0]=4 361 B9R0.39 CC(C)CC(CN)C(=O)O Z1948934651 [0,2,0,0,0,0|2,0,0]=4 362 B9R0.39 NCC(CC(=O)O)C(=O)O Z1532540523 [0,2,0,0,0,0|1,1,0]=4 363 B9R0.57 CC(C)(C)CC(N)C(=O)O Z1492781338 [0,2,0,0,0,0|2,0,0]=4 364 B9R0.57 CC(C)(Cl)CC(N)C(=O)O Z2432627366 [0,2,0,0,0,0|2,0,0]=4 365 B9R0.57 CC(F)(F)CC(N)C(=O)O Z3325264018 [0,2,0,0,0,0|2,0,0]=4 366 B9R0.57 NC(CC(F)(F)F)C(=O)O Z1357902358 [0,2,0,0,0,0|2,0,0]=4 367 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Z1198149799 [0,2,0,0,0,0|0,1,1]=4 368 B7R1.1 O=CC1CCSC1 Z1201681645 [1,0,0,1,0,0|2,0,0]=4 369 B7R1.4 NC1CCOC1=O Z56921763 [1,0,0,1,0,0|1,1,0]=4 370 B7R1.4 NC1CCSC1=O Z56922158 [1,0,0,1,0,0|1,0,0]=3 371 B7R1.4 NC1CONC1=O Z336087816 [1,0,0,1,0,0|1,1,0]=4 372 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [1,0,0,1,0,0|1,0,0]=3 373 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [1,0,0,1,0,0|1,1,0]=4 374 B7R1.4 N[C@@H]1CSC[C@@H]1O Z3068057819 [1,0,0,1,0,0|1,0,1]=4 375 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [1,0,0,1,0,0|1,0,0]=3 376 B7R1.4 N[C@H]1CONC1=O Z1201618622 [1,0,0,1,0,0|1,1,0]=4 377 B7R1.25 CC1(CSC1)C=O Z2732442937 [1,0,0,1,0,0|2,0,0]=4 378 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [1,0,0,1,0,0|2,0,0]=4 379 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [1,0,0,1,0,0|2,0,0]=4 380 B7R1.18 O=C(O)C1CCC1 Z104472264 [1,0,0,1,0,0|2,0,0]=4 381 B7R1.18 O=C(O)C1CCN1 Z168878270 [1,0,0,1,0,0|1,0,0]=3 382 B7R1.18 O=C(O)C1CNC1 Z1171217434 [1,0,0,1,0,0|2,0,0]=4 383 B7R1.18 O=C(O)C1CSC1 Z1205495555 [1,0,0,1,0,0|1,0,0]=3 384 B7R1.19 CC(=O)C1(CC1)N Z2273234943 [1,0,0,1,0,0|2,0,0]=4 385 B7R1.19 CC1(CC1)C(=O)O Z1205493633 [1,0,0,1,0,0|2,0,0]=4 386 B7R1.19 NC(=O)C1(CC1)N Z1415893881 [1,0,0,1,0,0|2,0,0]=4 387 B7R1.19 NC1(CC1)C(=O)O Z235362779 [1,0,0,1,0,0|1,0,0]=3 388 B7R1.19 O=C(O)C1(CC1)O Z216340524 [1,0,0,1,0,0|2,0,0]=4 389 B7R1.20 O=C(O)CC1CC1 Z234893653 [1,0,0,1,0,0|2,0,0]=4 390 B9R1.13 O=C(O)CC1CCCN1 Z1480642793 [0,0,0,1,0,1|2,0,0]=4 391 B9R1.41 NC1CCCC1C(=O)O Z1250132738 [0,0,0,1,0,1|2,0,0]=4 392 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Z2568674579 [0,0,0,1,0,1|2,0,0]=4 393 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)O Z2937968219 [0,0,0,1,0,1|1,1,0]=4 394 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Z2327569946 [0,0,0,1,0,1|2,0,0]=4 395 B9R1.137 NC(CC(=O)O)C1CC1 Z975824848 [0,0,0,1,0,1|2,0,0]=4 396 B9R1.171 NC1(CCC1)CC(=O)O Z1318147475 [0,0,0,1,0,1|2,0,0]=4 397 B9R1.3 NC1CCCN(C1=O)O Z1203581684 [0,1,0,1,0,0|2,0,0]=4 398 B9R1.110 NC(C(=O)O)C1CCC1 Z1309515310 [0,1,0,1,0,0|2,0,0]=4 399 B9R1.111 CC1(CC1)C(N)C(=O)O Z2940229290 [0,1,0,1,0,0|2,0,0]=4 400 B9R1.132 N[C@H]1C(=O)OC[C@H]1CO Z4342606943 [0,1,0,1,0,0|1,1,0]=4 401 B9R1.188 COC(=O)[C@]1(C[C@H]1C)N Z4178104558 [0,1,0,1,0,0|2,0,0]=4 402 B9R1.11 CNC(=O)C1CSCN1 Z1449756217 [0,1,0,1,0,0|2,0,0]=4 403 B9R1.11 COC(=O)C1CCCN1 Z240133664 [0,1,0,1,0,0|2,0,0]=4 404 B9R1.11 COC(=O)C1CCSS1 Z3302120689 [0,1,0,1,0,0|2,0,0]=4 405 B9R1.11 COC(=O)[C@@H]1CCCN1 Z1263714077 [0,1,0,1,0,0|2,0,0]=4 406 B9R1.82 COC(=O)[C@@H]1CC(=O)N1 Z1198222336 [0,1,0,1,0,0|1,1,0]=4 407 B9R1.6 NC(=O)C1CSCCN1 Z1198160722 [0,1,0,1,0,0|2,0,0]=4 408 B9R1.6 O=C(O)C1CC=CCN1 Z3839411211 [0,1,0,1,0,0|2,0,0]=4 409 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [0,1,0,1,0,0|2,0,0]=4 410 B9R1.6 O=C(O)C1CCCNC1 Z324553206 [0,1,0,1,0,0|2,0,0]=4 411 B9R1.6 O=C(O)C1CCCSC1 Z1198485079 [0,1,0,1,0,0|2,0,0]=4 412 B9R1.6 O=C(O)C1CCCSS1 Z1262517456 [0,1,0,1,0,0|2,0,0]=4 413 B9R1.6 O=C(O)C1CCSCC1 Z826531634 [0,1,0,1,0,0|2,0,0]=4 414 B9R1.6 O=C(O)C1CCSCN1 Z1235963996 [0,1,0,1,0,0|1,0,0]=3 415 B9R1.6 O=C(O)C1CN=CNC1 Z2327883697 [0,1,0,1,0,0|2,0,0]=4 416 B9R1.6 O=C(O)C1CNCCN1 Z1273089259 [0,1,0,1,0,0|2,0,0]=4 417 B9R1.6 O=C(O)C1COCCN1 Z1255387606 [0,1,0,1,0,0|1,1,0]=4 418 B9R1.6 O=C(O)C1CSCCS1 Z147642878 [0,1,0,1,0,0|2,0,0]=4 419 B9R1.6 O=C(O)C1SCSCS1 Z221524182 [0,1,0,1,0,0|2,0,0]=4 420 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [0,1,0,1,0,0|2,0,0]=4 421 B9R1.35 CC1NC(CS1)C(=O)O Z317026564 [0,1,0,1,0,0|1,0,0]=3 422 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [0,1,0,1,0,0|2,0,0]=4 423 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O Z2470415380 [0,1,0,1,0,0|1,1,0]=4 424 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O Z802856442 [0,1,0,1,0,0|1,1,0]=4 425 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O Z1201624589 [0,1,0,1,0,0|1,1,0]=4 426 B9R1.35 O=C1CC(CN1)C(=O)O Z239137534 [0,1,0,1,0,0|1,1,0]=4 427 B9R1.35 O=C1CC(CS1)C(=O)O Z1201622329 [0,1,0,1,0,0|1,1,0]=4 428 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [0,1,0,1,0,0|1,1,0]=4 429 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [0,1,0,1,0,0|1,1,0]=4 430 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [0,1,0,1,0,0|1,1,0]=4 431 B9R1.35 O=C1CN[C@@H](C1)C(=O)O Z2902023119 [0,1,0,1,0,0|1,1,0]=4 432 B9R1.35 O=C1NC(CO1)C(=O)O Z1201627960 [0,1,0,1,0,0|0,2,0]=4 433 B9R1.35 O=C1NC(CS1)C(=O)O Z199409846 [0,1,0,1,0,0|0,1,0]=3 434 B9R1.35 O=C1NCC(N1)C(=O)O Z1162470818 [0,1,0,1,0,0|1,1,0]=4 435 B9R1.35 O=C1N[C@@H](CS1)C(=O)O Z203038562 [0,1,0,1,0,0|0,1,0]=3 436 B9R1.112 NC(CC1CC1)C(=O)O Z431958560 [0,1,0,1,0,0|2,0,0]=4 437 B9R1.163 CC1(CCCN1)C(=O)O Z1483991628 [0,1,0,1,0,0|2,0,0]=4 438 B9R1.163 CC1(CCCS1)C(=O)O Z1268152237 [0,1,0,1,0,0|2,0,0]=4 439 B9R1.163 NC1(CC=CC1)C(=O)O Z3814563789 [0,1,0,1,0,0|2,0,0]=4 440 B9R1.163 NC1(CCCC1)C(=O)O Z234896477 [0,1,0,1,0,0|2,0,0]=4 441 B9R1.163 NC1(CCOC1)C(=O)O Z1124555363 [0,1,0,1,0,0|1,1,0]=4 442 B9R1.163 NC1(CCSC1)C(=O)O Z317024750 [0,1,0,1,0,0|1,0,0]=3 443 B9R1.152 C=C1CC(C1)(N)C(=O)O Z4456650800 [0,1,0,1,0,0|2,0,0]=4 444 B9R1.152 CC1CC(C1)(N)C(=O)O Z2856166804 [0,1,0,1,0,0|2,0,0]=4 445 B9R1.152 NC1(CC(=O)C1)C(=O)O Z4578587092 [0,1,0,1,0,0|1,1,0]=4 446 B9R1.152 NC1(CC(C1)F)C(=O)O Z2724339187 [0,1,0,1,0,0|2,0,0]=4 447 B9R1.152 NC1(CC(C1)O)C(=O)O Z1255398009 [0,1,0,1,0,0|1,1,0]=4 448 B9R1.165 CC(N)(C(=O)O)C1CC1 Z1250132714 [0,1,0,1,0,0|2,0,0]=4 449 B9R1.119 CNC1(CCC1)C(=O)O Z2327124607 [0,1,0,1,0,0|2,0,0]=4 450 B9R1.119 NCC1(CCC1)C(=O)O Z2037266975 [0,1,0,1,0,0|2,0,0]=4 451 B9R1.130 C[C@@H]1C[C@@]1(CN)C(=O)O Z3409601701 [0,1,0,1,0,0|2,0,0]=4 452 B9R1.169 CC1(CC1(N)C(=O)O)C Z3674952394 [0,1,0,1,0,0|2,0,0]=4