0 B7R0.5 C#CCC(N)C(=O)N Z1203582923 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.5 C=CCC(N)C(=O)O Z317024964 [0,0,0,0,0,0|1,0,1]=2 3 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [0,0,0,0,0,0|1,0,1]=2 4 B7R0.5 CC(C)C(N)CCO Z979743766 [0,0,0,0,0,0|2,1,1]=4 5 B7R0.5 CC(CCN)C(=O)O Z2298167292 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.5 CC(CCN)S(=O)C Z1431460424 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.5 CC(NC=O)C(=O)O Z56757230 [0,0,0,0,0,0|2,1,1]=4 8 B7R0.5 CCCC(C)C(=O)O Z104477112 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.5 CCCC(N)C(=O)O Z317024724 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [0,0,0,0,0,0|1,0,0]=1 11 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [0,0,0,0,0,0|1,0,0]=1 12 B7R0.5 CCNC(C)C(=O)O Z3181996310 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.5 CCOC(C)C(=O)O Z316258934 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.5 CNCC(C)C(=O)O Z1270387301 [0,0,0,0,0,0|3,0,0]=3 15 B7R0.5 COCC(C)C(=O)O Z431541094 [0,0,0,0,0,0|3,0,0]=3 16 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,0,0,0,0,0|2,0,0]=2 17 B7R0.5 CSCC(C)C(=O)O Z732206684 [0,0,0,0,0,0|3,0,0]=3 18 B7R0.5 CSCC(N)C(=O)O Z317025996 [0,0,0,0,0,0|2,0,0]=2 19 B7R0.5 NC(CCF)C(=O)O Z2470036329 [0,0,0,0,0,0|1,0,0]=1 20 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,0,0,0,0,0|0,1,0]=1 21 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,0,0,0,0,0|2,0,0]=2 22 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,0,0,0,0,0|1,0,0]=1 23 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,0,0,0,0,0|2,0,0]=2 24 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,0,0,0,0,0|0,1,0]=1 25 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,0,0,0,0,0|0,1,0]=1 26 B6R0.1 C=CCC(N)CO Z1815149150 [1,0,0,0,0,0|1,0,2]=4 27 B6R0.1 CC(CO)CCN Z5410631465 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.1 CCC(N)CCO Z1258578227 [1,0,0,0,0,0|1,1,1]=4 29 B6R0.1 CCCC(N)C#N Z398513448 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.1 CCCC(N)CC Z1642389626 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.1 CCCC(N)CN Z425861040 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.1 COCC(N)CO Z1945984156 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.3 C=CC(N)C(=O)O Z3244810526 [1,0,0,0,0,0|0,0,2]=3 34 B6R0.3 CC(C#N)C(=O)O Z852759720 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.3 CC(CN)C(=O)O Z431542704 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.3 CC(CO)C(=O)O Z431541400 [1,0,0,0,0,0|1,1,0]=3 37 B6R0.3 CC(O)C(N)CN Z1250080890 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.3 CCC(C)C(=N)N Z823287482 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.3 CCC(C)C(=O)N Z270978420 [1,0,0,0,0,0|2,0,0]=3 40 B6R0.3 CCC(C)C(=O)O Z237374874 [1,0,0,0,0,0|1,0,0]=2 41 B6R0.3 CCC(N)C(=O)O Z104495144 [1,0,0,0,0,0|0,0,0]=1 42 B6R0.3 CCC(N)C(C)C Z823287438 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.3 CCC(O)C(=O)N Z965049008 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.3 CCC(O)C(=O)O Z246073650 [1,0,0,0,0,0|1,0,0]=2 45 B6R0.3 CCC(O)C(C)O Z1251352132 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [1,0,0,0,0,0|0,0,0]=1 47 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [1,0,0,0,0,0|1,0,0]=2 48 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [1,0,0,0,0,0|0,0,0]=1 49 B6R0.3 CNC(C)C(=O)O Z1278590830 [1,0,0,0,0,0|2,0,0]=3 50 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [1,0,0,0,0,0|3,0,0]=4 51 B6R0.3 COC(C)C(=O)C Z447898138 [1,0,0,0,0,0|3,0,0]=4 52 B6R0.3 COC(C)C(=O)N Z223645218 [1,0,0,0,0,0|3,0,0]=4 53 B6R0.3 COC(C)C(=O)O Z316258898 [1,0,0,0,0,0|2,0,0]=3 54 B6R0.3 CSC(C)C(=O)O Z149191750 [1,0,0,0,0,0|2,0,0]=3 55 B6R0.3 NC(CO)C(=O)O Z57396986 [1,0,0,0,0,0|0,1,0]=2 56 B6R0.3 NC(CS)C(=O)O Z966690626 [1,0,0,0,0,0|0,0,0]=1 57 B6R0.3 NCC(N)C(=O)O Z2465863279 [1,0,0,0,0,0|1,0,0]=2 58 B6R0.3 NCC(O)C(=O)N Z1889902538 [1,0,0,0,0,0|3,0,0]=4 59 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [1,0,0,0,0,0|2,0,0]=3 60 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [1,0,0,0,0,0|0,1,0]=2 61 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [1,0,0,0,0,0|0,0,0]=1 62 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [1,0,0,0,0,0|0,1,0]=2 63 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.4 C#CCCC(=O)O Z295890062 [1,0,0,0,0,0|1,0,1]=3 65 B6R0.4 C=CCCC(=O)C Z406376894 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.4 C=CCCC(=O)O Z995028722 [1,0,0,0,0,0|1,0,1]=3 67 B6R0.4 CC(=O)CCC#N Z1251352415 [1,0,0,0,0,0|2,0,1]=4 68 B6R0.4 CC(=O)NCCCl Z57983106 [1,0,0,0,0,0|3,0,0]=4 69 B6R0.4 CC(=O)OCCN Z1973465551 [1,0,0,0,0,0|3,0,0]=4 70 B6R0.4 CC(O)CCCN Z1198178891 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.4 CC/C=C/C(=O)O Z2311573931 [1,0,0,0,0,0|1,0,2]=4 72 B6R0.4 CCC#CC(=O)O Z1205493735 [1,0,0,0,0,0|1,0,2]=4 73 B6R0.4 CCCCB(O)O Z1147227739 [1,0,0,0,0,0|2,0,1]=4 74 B6R0.4 CCCCC(=N)N Z1723418909 [1,0,0,0,0,0|3,0,0]=4 75 B6R0.4 CCCCC(=O)N Z104476278 [1,0,0,0,0,0|2,0,0]=3 76 B6R0.4 CCCCC(=O)O Z104473312 [1,0,0,0,0,0|1,0,0]=2 77 B6R0.4 CCCNC(=O)C Z33030314 [1,0,0,0,0,0|3,0,0]=4 78 B6R0.4 CCCOC(=O)N Z1198148877 [1,0,0,0,0,0|3,0,0]=4 79 B6R0.4 CCNCC(=O)N Z1459435506 [1,0,0,0,0,0|3,0,0]=4 80 B6R0.4 CCNCC(=O)O Z744593094 [1,0,0,0,0,0|2,0,0]=3 81 B6R0.4 CCOCC(=O)O Z104495232 [1,0,0,0,0,0|2,0,0]=3 82 B6R0.4 CNCCC(=O)C Z1536943318 [1,0,0,0,0,0|3,0,0]=4 83 B6R0.4 COCCC(=O)C Z362119682 [1,0,0,0,0,0|3,0,0]=4 84 B6R0.4 COCCC(=O)N Z394696458 [1,0,0,0,0,0|3,0,0]=4 85 B6R0.4 COCCC(=O)O Z285184634 [1,0,0,0,0,0|2,0,0]=3 86 B6R0.4 CSCCC(=O)O Z54719251 [1,0,0,0,0,0|2,0,0]=3 87 B6R0.4 N#CCCC(=O)N Z57160408 [1,0,0,0,0,0|2,0,1]=4 88 B6R0.4 NC(=O)CCCO Z1203578394 [1,0,0,0,0,0|1,1,0]=3 89 B6R0.4 NC(=O)NCCF Z1203582184 [1,0,0,0,0,0|3,0,0]=4 90 B6R0.4 NC(=O)OCCO Z1198158440 [1,0,0,0,0,0|2,1,0]=4 91 B6R0.4 NCCCC(=O)N Z398513418 [1,0,0,0,0,0|2,0,0]=3 92 B6R0.4 NCCCC(=O)O Z104475620 [1,0,0,0,0,0|1,0,0]=2 93 B6R0.4 NCCCS(=O)O Z1203579399 [1,0,0,0,0,0|2,0,0]=3 94 B6R0.4 NCCNC(=O)N Z1268152381 [1,0,0,0,0,0|3,0,0]=4 95 B6R0.4 NCCOC(=O)N Z1587257433 [1,0,0,0,0,0|3,0,0]=4 96 B6R0.4 O=C(O)/C=C/CO Z3178016098 [1,0,0,0,0,0|0,1,2]=4 97 B6R0.4 O=C(O)C#CCO Z1198169479 [1,0,0,0,0,0|0,1,2]=4 98 B6R0.4 O=C(O)CCCS Z147642510 [1,0,0,0,0,0|0,0,0]=1 99 B8R0.2 C=CC(C)C(C)C(=O)O Z1205494257 [0,1,0,0,0,0|2,0,1]=4 100 B8R0.2 CC(CN)C(F)C(=O)O Z3556611783 [0,1,0,0,0,0|2,0,0]=3 101 B8R0.2 CCC(C)C(=O)C(=O)O Z1205493610 [0,1,0,0,0,0|2,0,1]=4 102 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [0,1,0,0,0,0|2,0,0]=3 103 B8R0.2 CCC(C)C(N)C(=O)N Z56979347 [0,1,0,0,0,0|2,0,0]=3 104 B8R0.2 CCC(C)C(N)C(=O)O Z104473608 [0,1,0,0,0,0|1,0,0]=2 105 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Z1203578023 [0,1,0,0,0,0|1,0,0]=2 106 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Z1203578040 [0,1,0,0,0,0|1,0,0]=2 107 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Z1205494177 [0,1,0,0,0,0|2,0,0]=3 108 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Z1201618644 [0,1,0,0,0,0|1,0,0]=2 109 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Z756427442 [0,1,0,0,0,0|1,0,0]=2 110 B8R0.2 COC(C)C(O)C(=O)O Z1509040637 [0,1,0,0,0,0|3,0,0]=4 111 B8R0.2 CSC(C)C(N)C(=O)O Z4511736963 [0,1,0,0,0,0|2,0,0]=3 112 B8R0.2 CSC(C)C(O)C(=O)O Z2787457174 [0,1,0,0,0,0|3,0,0]=4 113 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Z3270796459 [0,1,0,0,0,0|2,0,0]=3 114 B8R0.3 C=CCC(N)C(=O)OC Z3067784225 [0,1,0,0,0,0|1,0,1]=3 115 B8R0.3 CCCC(C)C(=O)CC Z1138187109 [0,1,0,0,0,0|3,0,0]=4 116 B8R0.3 CCCC(N)C(=O)NC Z1449756374 [0,1,0,0,0,0|2,0,0]=3 117 B8R0.3 CCCC(N)C(=O)NO Z1184862965 [0,1,0,0,0,0|1,0,0]=2 118 B8R0.3 CCCC(N)C(=O)OC Z1592042299 [0,1,0,0,0,0|1,0,0]=2 119 B8R0.3 COC(=O)C(C)CCN Z3025061158 [0,1,0,0,0,0|2,0,0]=3 120 B8R0.3 COC(=O)N(C)CCO Z371625398 [0,1,0,0,0,0|2,1,0]=4 121 B8R0.8 C#CCOC(C)C(=O)O Z362807268 [0,1,0,0,0,0|2,0,1]=4 122 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [0,1,0,0,0,0|1,0,1]=3 123 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [0,1,0,0,0,0|1,0,0]=2 124 B8R0.8 C=CCOC(C)C(=O)O Z362807816 [0,1,0,0,0,0|2,0,1]=4 125 B8R0.8 CC#CCC(N)C(=O)O Z1691545116 [0,1,0,0,0,0|1,0,1]=3 126 B8R0.8 CCCCC(C)C(=O)C Z727719632 [0,1,0,0,0,0|3,0,0]=4 127 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,1,0,0,0,0|2,0,0]=3 128 B8R0.8 CCCCC(N)C(=O)O Z57127434 [0,1,0,0,0,0|1,0,0]=2 129 B8R0.8 CCCCC(N)C(C)O Z2453175125 [0,1,0,0,0,0|2,0,1]=4 130 B8R0.8 CCCCC(O)C(=O)O Z803065156 [0,1,0,0,0,0|2,0,0]=3 131 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [0,1,0,0,0,0|1,0,0]=2 132 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [0,1,0,0,0,0|1,0,0]=2 133 B8R0.8 CCOCC(C)C(=O)O Z431541098 [0,1,0,0,0,0|2,0,0]=3 134 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [0,1,0,0,0,0|1,0,0]=2 135 B8R0.8 COCCC(C)C(=O)O Z756390554 [0,1,0,0,0,0|1,1,0]=3 136 B8R0.8 COCCC(N)C(=O)O Z317025018 [0,1,0,0,0,0|0,1,0]=2 137 B8R0.8 CSCCC(N)C(=O)O Z57127440 [0,1,0,0,0,0|0,0,0]=1 138 B8R0.8 CSCCC(O)C(=O)O Z788000926 [0,1,0,0,0,0|1,0,0]=2 139 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [0,1,0,0,0,0|0,0,0]=1 140 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [0,1,0,0,0,0|0,0,0]=1 141 B8R0.8 N#CCCC(N)C(=O)N Z4876440061 [0,1,0,0,0,0|2,0,0]=3 142 B8R0.8 NCCCC(N)C(=O)O Z104476736 [0,1,0,0,0,0|1,0,0]=2 143 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [0,1,0,0,0,0|1,0,0]=2 144 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [0,1,0,0,0,0|1,0,0]=2 145 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [0,1,0,0,0,0|0,1,0]=2 146 B8R0.8 O=C([O-])C(O)CCCO Z2510259022 [0,1,0,0,0,0|1,1,1]=4 147 B8R0.12 CC(C)(CCN)C(=O)O Z1198151185 [0,1,0,0,0,0|2,0,0]=3 148 B8R0.12 CC(C)(CCO)C(=O)[O-] Z2939606946 [0,1,0,0,0,0|1,1,1]=4 149 B8R0.12 CC(N)(CCF)C(=O)O Z2509305784 [0,1,0,0,0,0|1,0,0]=2 150 B8R0.12 CCCC(C)(C)C(=O)N Z1198157529 [0,1,0,0,0,0|3,0,0]=4 151 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [0,1,0,0,0,0|1,0,0]=2 152 B8R0.12 CCCC(C)(O)C(=O)O Z788000960 [0,1,0,0,0,0|2,0,0]=3 153 B8R0.12 CCNC(C)(C)C(=O)O Z1259161934 [0,1,0,0,0,0|3,0,0]=4 154 B8R0.12 COCC(C)(C)C(=O)O Z1198275672 [0,1,0,0,0,0|3,0,0]=4 155 B8R0.12 COCC(C)(N)C(=O)N Z1267773731 [0,1,0,0,0,0|3,0,0]=4 156 B8R0.12 COCC(C)(N)C(=O)O Z1346385711 [0,1,0,0,0,0|2,0,0]=3 157 B8R0.12 COCC(C)(O)C(=O)O Z992448466 [0,1,0,0,0,0|3,0,0]=4 158 B8R0.12 CSCC(C)(C)C(=O)O Z1205494330 [0,1,0,0,0,0|3,0,0]=4 159 B8R0.12 NCCC(F)(F)C(=O)O Z2310718931 [0,1,0,0,0,0|2,0,0]=3 160 B8R0.15 CCCC(CC)C(=O)O Z756391368 [0,1,0,0,0,0|2,0,0]=3 161 B8R0.15 CCCC(CN)C(=O)O Z970060188 [0,1,0,0,0,0|1,0,0]=2 162 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [0,1,0,0,0,0|2,0,0]=3 163 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [0,1,0,0,0,0|3,0,0]=4 164 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [0,1,0,0,0,0|3,0,0]=4 165 B8R0.15 CCOC(CC)C(=O)O Z449367060 [0,1,0,0,0,0|3,0,0]=4 166 B8R0.15 CNC(COC)C(=O)O Z1250132318 [0,1,0,0,0,0|2,0,0]=3 167 B8R0.15 CN[C@@H](COC)C(=O)N Z2213893319 [0,1,0,0,0,0|3,0,0]=4 168 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [0,1,0,0,0,0|1,0,1]=3 169 B8R0.23 C=C(Cl)CC(N)C(=O)O Z2689845474 [0,1,0,0,0,0|1,0,1]=3 170 B8R0.23 CC(C)CC(=O)C(=O)O Z975823226 [0,1,0,0,0,0|2,0,1]=4 171 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [0,1,0,0,0,0|2,0,0]=3 172 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [0,1,0,0,0,0|1,0,0]=2 173 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [0,1,0,0,0,0|1,0,0]=2 174 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [0,1,0,0,0,0|1,0,0]=2 175 B8R0.23 CC(C)NC(C)C(=O)O Z449368966 [0,1,0,0,0,0|3,0,0]=4 176 B8R0.23 CC(C)SC(C)C(=O)O Z214845364 [0,1,0,0,0,0|3,0,0]=4 177 B8R0.23 CC(CC(=O)N)C(=O)O Z1203581899 [0,1,0,0,0,0|1,1,1]=4 178 B8R0.23 CC(CC(F)F)C(=O)O Z1198342616 [0,1,0,0,0,0|2,0,0]=3 179 B8R0.23 CC(CN(C)C)C(=O)O Z2106602539 [0,1,0,0,0,0|3,0,0]=4 180 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [0,1,0,0,0,0|2,1,0]=4 181 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [0,1,0,0,0,0|2,0,0]=3 182 B8R0.23 CN(C)CC(O)C(=O)O Z1205494800 [0,1,0,0,0,0|3,0,0]=4 183 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [0,1,0,0,0,0|0,1,1]=3 184 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [0,1,0,0,0,0|0,1,1]=3 185 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [0,1,0,0,0,0|0,1,1]=3 186 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [0,1,0,0,0,0|1,1,1]=4 187 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [0,1,0,0,0,0|0,1,1]=3 188 B8R0.23 NC(CC(F)F)C(=O)O Z1250080925 [0,1,0,0,0,0|1,0,0]=2 189 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [0,1,0,0,0,0|0,1,1]=3 190 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [0,1,0,0,0,0|0,1,1]=3 191 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [0,1,0,0,0,0|1,1,1]=4 192 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [0,1,0,0,0,0|1,1,1]=4 193 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [0,1,0,0,0,0|1,1,1]=4 194 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [0,1,0,0,0,0|1,1,1]=4 195 B8R1.5 CC1CCCCC1=O Z104477192 [0,0,0,1,0,0|3,0,0]=4 196 B8R1.5 CC1CCCNC1=O Z1013766916 [0,0,0,1,0,0|3,0,0]=4 197 B8R1.5 NC1CCCCC1=O Z2186882796 [0,0,0,1,0,0|2,0,0]=3 198 B8R1.5 NC1CCCNC1=O Z993991168 [0,0,0,1,0,0|2,0,0]=3 199 B8R1.5 NC1CCOCC1O Z2688974552 [0,0,0,1,0,0|1,1,1]=4 200 B8R1.5 NN1CCCCC1=O Z976663668 [0,0,0,1,0,0|3,0,0]=4 201 B8R1.5 N[C@@H]1CCCC[C@@H]1O Z2235399143 [0,0,0,1,0,0|2,0,1]=4 202 B8R1.5 O=C1CCCCC1Cl Z94598693 [0,0,0,1,0,0|3,0,0]=4 203 B8R1.5 O=C1NCCCC1F Z1203749514 [0,0,0,1,0,0|3,0,0]=4 204 B8R1.7 CC(=O)C1CCCC1 Z513735352 [0,0,0,1,0,0|3,0,0]=4 205 B8R1.7 CC(=O)C1CCNC1 Z3011567326 [0,0,0,1,0,0|3,0,0]=4 206 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [0,0,0,1,0,0|2,1,0]=4 207 B8R1.7 CC(O)[C@@H]1CCCN1 Z1203825201 [0,0,0,1,0,0|2,0,1]=4 208 B8R1.7 NC(=O)C1CCCC1 Z33546657 [0,0,0,1,0,0|3,0,0]=4 209 B8R1.7 NC(=O)C1CCCN1 Z56945990 [0,0,0,1,0,0|2,0,0]=3 210 B8R1.7 NC(=O)C1CCCO1 Z33545380 [0,0,0,1,0,0|3,0,0]=4 211 B8R1.7 NC(=O)C1CCNC1 Z1198394223 [0,0,0,1,0,0|3,0,0]=4 212 B8R1.7 NC(=O)C1CCOC1 Z802555342 [0,0,0,1,0,0|2,1,0]=4 213 B8R1.7 NC(=O)C1CSCN1 Z316101160 [0,0,0,1,0,0|3,0,0]=4 214 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [0,0,0,1,0,0|2,0,1]=4 215 B8R1.7 O=C(O)C1=COCC1 Z1013753090 [0,0,0,1,0,0|1,1,1]=4 216 B8R1.7 O=C(O)C1=NOCC1 Z1205494291 [0,0,0,1,0,0|0,1,2]=4 217 B8R1.7 O=C(O)C1C=CCN1 Z2902023058 [0,0,0,1,0,0|1,0,2]=4 218 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [0,0,0,1,0,0|2,0,1]=4 219 B8R1.7 O=C(O)C1CCCC1 Z104476116 [0,0,0,1,0,0|2,0,0]=3 220 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,0,0,1,0,0|1,0,0]=2 221 B8R1.7 O=C(O)C1CCCO1 Z104486102 [0,0,0,1,0,0|2,0,0]=3 222 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [0,0,0,1,0,0|2,0,0]=3 223 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [0,0,0,1,0,0|2,0,0]=3 224 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [0,0,0,1,0,0|2,0,0]=3 225 B8R1.7 O=C(O)C1CCOC1 Z381356480 [0,0,0,1,0,0|1,1,0]=3 226 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [0,0,0,1,0,0|1,0,0]=2 227 B8R1.7 O=C(O)C1CSCN1 Z104495996 [0,0,0,1,0,0|2,0,0]=3 228 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [0,0,0,1,0,0|2,0,0]=3 229 B8R1.7 O=C(O)C1OCCO1 Z1198167310 [0,0,0,1,0,0|3,0,0]=4 230 B8R1.7 O=C(O)C1SCCS1 Z1255500889 [0,0,0,1,0,0|3,0,0]=4 231 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,0,0,1,0,0|1,0,0]=2 232 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [0,0,0,1,0,0|2,0,0]=3 233 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,0,0,1,0,0|1,0,0]=2 234 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [0,0,0,1,0,0|2,0,0]=3 235 B8R1.18 CC1CC(C(=O)N1)C Z1203733105 [0,0,0,1,0,0|3,0,0]=4 236 B8R1.18 CC1CC(C(=O)O1)N Z118507726 [0,0,0,1,0,0|1,0,0]=2 237 B8R1.18 CC1CC(C(O1)C)N Z2719326610 [0,0,0,1,0,0|2,0,1]=4 238 B8R1.18 CN1CC(C(=O)N1)N Z1332661939 [0,0,0,1,0,0|3,0,0]=4 239 B8R1.18 NC1CC(=O)NC1=O Z2901974060 [0,0,0,1,0,0|1,1,1]=4 240 B8R1.18 N[C@@H]1C[C@@H](C[C@H]1O)O Z3576076783 [0,0,0,1,0,0|1,1,1]=4 241 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [0,0,0,1,0,0|2,0,0]=3 242 B8R1.23 CN1CC(C1)C(=O)O Z1198330195 [0,0,0,1,0,0|3,0,0]=4 243 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O Z360056576 [0,0,0,1,0,0|2,0,0]=3 244 B8R1.23 O=C([O-])[C@H]1C[C@@H](C1)O Z4399321929 [0,0,0,1,0,0|1,1,1]=4 245 B8R1.23 O=C1CC(C1)C(=O)O Z235344247 [0,0,0,1,0,0|1,1,1]=4 246 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [0,0,0,1,0,0|1,0,0]=2 247 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [0,0,0,1,0,0|2,0,0]=3 248 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O Z2310010920 [0,0,0,1,0,0|2,0,1]=4 249 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O Z2310010923 [0,0,0,1,0,0|2,0,1]=4 250 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Z3718352401 [0,0,0,1,0,0|2,0,0]=3 251 B8R1.43 O=C([O-])[C@@H]1C[C@H]1CO Z3717749370 [0,0,0,1,0,0|1,1,1]=4 252 B8R1.43 O=C[C@@H]1C[C@H]1C(=O)O Z3664810585 [0,0,0,1,0,0|1,1,1]=4 253 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Z2944291920 [0,0,0,1,0,0|1,1,1]=4 254 B8R1.54 CC(C(=O)O)C1CC1 Z792377292 [0,0,0,1,0,0|2,0,0]=3 255 B8R1.54 NC(=O)C(N)C1CC1 Z3183923231 [0,0,0,1,0,0|2,0,0]=3 256 B8R1.54 NC(=O)C(O)C1CC1 Z965049350 [0,0,0,1,0,0|3,0,0]=4 257 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [0,0,0,1,0,0|1,0,0]=2 258 B8R1.54 O=C(O)C(O)C1CC1 Z802856440 [0,0,0,1,0,0|2,0,0]=3 259 B8R1.78 CC1(CCC1)C(=O)O Z1205493900 [0,0,0,1,0,0|2,0,0]=3 260 B8R1.78 CC1(CNC1)C(=O)O Z3071128920 [0,0,0,1,0,0|3,0,0]=4 261 B8R1.78 CC1(COC1)C(=O)O Z1198234535 [0,0,0,1,0,0|3,0,0]=4 262 B8R1.78 NC(=O)C1(CCC1)N Z1483991927 [0,0,0,1,0,0|2,0,0]=3 263 B8R1.78 NC(=O)C1(CNC1)N Z1262579255 [0,0,0,1,0,0|3,0,0]=4 264 B8R1.78 NC1(CCC1)C(=O)O Z1431905448 [0,0,0,1,0,0|1,0,0]=2 265 B8R1.78 NC1(CNC1)C(=O)O Z2867454580 [0,0,0,1,0,0|2,0,0]=3 266 B8R1.78 O=C(O)C1(CCC1)Br Z220564362 [0,0,0,1,0,0|2,0,0]=3 267 B8R1.78 O=C(O)C1(CCC1)O Z220564366 [0,0,0,1,0,0|2,0,0]=3 268 B8R1.78 O=C(O)C1(CNC1)O Z2630949328 [0,0,0,1,0,0|3,0,0]=4 269 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [0,0,0,0,0,1|2,0,0]=3 270 B8R0.5 CCC/C(=C/C(=O)O)/C Z352746820 [0,0,0,0,0,1|2,0,1]=4 271 B8R0.5 CCCC(C)CC(=O)O Z352782810 [0,0,0,0,0,1|2,0,0]=3 272 B8R0.5 CCCC(O)CC(=O)O Z982132146 [0,0,0,0,0,1|2,0,0]=3 273 B8R0.5 CCCN(C)CC(=O)O Z1259273358 [0,0,0,0,0,1|3,0,0]=4 274 B8R0.5 CCNC(C)CC(=O)O Z1259161935 [0,0,0,0,0,1|3,0,0]=4 275 B8R0.5 COCC(C)CC(=O)O Z992443864 [0,0,0,0,0,1|3,0,0]=4 276 B5R0.1 C#CCC(=O)O Z295890060 [2,0,0,0,0,0|0,0,2]=4 277 B5R0.1 C/C=C/C(=O)O Z104476026 [2,0,0,0,0,0|0,0,2]=4 278 B5R0.1 CC(=O)CCO Z906206900 [2,0,0,0,0,0|1,1,0]=4 279 B5R0.1 CC(N)CCO Z385458430 [2,0,0,0,0,0|0,1,1]=4 280 B5R0.1 CC(O)CCN Z802904114 [2,0,0,0,0,0|2,0,0]=4 281 B5R0.1 CC(O)CCO Z104473530 [2,0,0,0,0,0|1,1,0]=4 282 B5R0.1 CCCC(=N)N Z1198394172 [2,0,0,0,0,0|2,0,0]=4 283 B5R0.1 CCCC(=O)N Z33546461 [2,0,0,0,0,0|1,0,0]=3 284 B5R0.1 CCCC(=O)O Z104495380 [2,0,0,0,0,0|0,0,0]=2 285 B5R0.1 CCCC(C)N Z2417819590 [2,0,0,0,0,0|1,0,1]=4 286 B5R0.1 CCOC(=O)N Z33546369 [2,0,0,0,0,0|2,0,0]=4 287 B5R0.1 CNCC(=O)N Z415678308 [2,0,0,0,0,0|2,0,0]=4 288 B5R0.1 CNCC(=O)O Z104480276 [2,0,0,0,0,0|1,0,0]=3 289 B5R0.1 COCC(=O)N Z33546778 [2,0,0,0,0,0|2,0,0]=4 290 B5R0.1 COCC(=O)O Z104477404 [2,0,0,0,0,0|1,0,0]=3 291 B5R0.1 CSCC(=O)N Z33545668 [2,0,0,0,0,0|2,0,0]=4 292 B5R0.1 C[C@@H](N)CCO Z1526453858 [2,0,0,0,0,0|0,1,1]=4 293 B5R0.1 C[C@@H](O)CCN Z1860991703 [2,0,0,0,0,0|2,0,0]=4 294 B5R0.1 N#CCC(=O)O Z104476112 [2,0,0,0,0,0|1,0,1]=4 295 B5R0.1 NC(=O)CCO Z431951940 [2,0,0,0,0,0|0,1,1]=4 296 B5R0.1 NCCC(=O)N Z415728050 [2,0,0,0,0,0|1,0,1]=4 297 B5R0.1 NCCC(=O)O Z57127544 [2,0,0,0,0,0|1,0,0]=3 298 B5R0.1 NOCC(=O)O Z90662171 [2,0,0,0,0,0|2,0,0]=4 299 B5R0.1 O=C(O)CCCl Z203045320 [2,0,0,0,0,0|1,0,0]=3 300 B5R0.1 O=C(O)CCS Z104474322 [2,0,0,0,0,0|0,0,0]=2 301 B5R0.1 O=C(O)CNO Z1205493750 [2,0,0,0,0,0|1,1,0]=4 302 B5R0.2 C=CCCCN Z993058434 [2,0,0,0,0,0|2,0,0]=4 303 B5R0.2 CCCCC=O Z104472992 [2,0,0,0,0,0|1,0,0]=3 304 B5R0.3 C=CC(N)CO Z2146514374 [2,0,0,0,0,0|1,1,0]=4 305 B5R0.3 CC(CO)CS Z1262475362 [2,0,0,0,0,0|1,0,1]=4 306 B5R0.3 CC/C(=N/O)/N Z241067842 [2,0,0,0,0,0|1,0,1]=4 307 B5R0.3 CCC(N)C#N Z445129502 [2,0,0,0,0,0|1,0,1]=4 308 B5R0.3 CCC(N)CN Z1263714131 [2,0,0,0,0,0|1,0,1]=4 309 B5R0.3 CCC(N)CO Z104474862 [2,0,0,0,0,0|0,0,1]=3 310 B5R0.3 CCC(O)CO Z600450538 [2,0,0,0,0,0|1,0,1]=4 311 B5R0.3 CCN(C)C=O Z1258520870 [2,0,0,0,0,0|2,0,0]=4 312 B5R0.3 CC[C@@H](N)C#N Z1203638467 [2,0,0,0,0,0|1,0,1]=4 313 B5R0.3 CC[C@@H](N)CO Z1203162359 [2,0,0,0,0,0|0,0,1]=3 314 B5R0.3 CC[C@H](N)CO Z1203162358 [2,0,0,0,0,0|0,0,1]=3 315 B5R0.3 NC(CO)CO Z1203577940 [2,0,0,0,0,0|0,1,1]=4 316 B5R0.3 OCC(O)CS Z1255382958 [2,0,0,0,0,0|1,0,1]=4 317 B5R0.5 CC(=O)C(=O)O Z104495240 [2,0,0,0,0,0|1,0,1]=4 318 B5R0.5 CC(=O)C(C)N Z1263529525 [2,0,0,0,0,0|1,0,0]=3 319 B5R0.5 CC(Br)C(=O)O Z57127555 [2,0,0,0,0,0|1,0,0]=3 320 B5R0.5 CC(C)C(=O)N Z57046209 [2,0,0,0,0,0|2,0,0]=4 321 B5R0.5 CC(C)C(=O)O Z104473380 [2,0,0,0,0,0|1,0,0]=3 322 B5R0.5 CC(Cl)C(=O)N Z56924427 [2,0,0,0,0,0|2,0,0]=4 323 B5R0.5 CC(Cl)C(=O)O Z147646840 [2,0,0,0,0,0|1,0,0]=3 324 B5R0.5 CC(N)C(=O)N Z54749436 [2,0,0,0,0,0|1,0,0]=3 325 B5R0.5 CC(N)C(=O)O Z57396987 [2,0,0,0,0,0|0,0,0]=2 326 B5R0.5 CC(O)C(=O)N Z57206008 [2,0,0,0,0,0|2,0,0]=4 327 B5R0.5 CC(S)C(=O)O Z104477082 [2,0,0,0,0,0|1,0,0]=3 328 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [2,0,0,0,0,0|0,0,0]=2 329 B5R0.5 C[C@H](N)C(=O)N Z359371050 [2,0,0,0,0,0|1,0,0]=3 330 B5R0.5 C[C@H](N)C(=O)O Z756424912 [2,0,0,0,0,0|0,0,0]=2 331 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [2,0,0,0,0,0|2,0,0]=4 332 B5R0.5 O=C(O)C(F)F Z104474070 [2,0,0,0,0,0|2,0,0]=4 333 B7R0.2 CC(C)CC(N)CO Z734151210 [1,1,0,0,0,0|1,0,1]=4 334 B7R0.7 COCC(N)CCO Z1238548168 [1,1,0,0,0,0|0,1,1]=4 335 B7R0.10 CCC(C)C(N)CO Z1255523308 [1,1,0,0,0,0|1,0,1]=4 336 B7R0.11 CCCC(C)(N)CO Z734150846 [1,1,0,0,0,0|1,0,1]=4 337 B7R0.13 CC(Br)(CBr)C(=O)O Z104503534 [1,1,0,0,0,0|2,0,0]=4 338 B7R0.13 CC(C)(CF)C(=O)O Z1205495490 [1,1,0,0,0,0|2,0,0]=4 339 B7R0.13 CC(C)(CN)C(=O)O Z2235387237 [1,1,0,0,0,0|2,0,0]=4 340 B7R0.13 CC(C)(CO)C(=O)O Z997726628 [1,1,0,0,0,0|1,1,0]=4 341 B7R0.13 CC(N)(CN)C(=O)O Z2050725177 [1,1,0,0,0,0|1,0,0]=3 342 B7R0.13 CC(N)(CO)C(=O)O Z1509051726 [1,1,0,0,0,0|0,1,0]=3 343 B7R0.13 CC(O)(CO)C(=O)O Z1205493767 [1,1,0,0,0,0|1,1,0]=4 344 B7R0.13 CCC(C)(Br)C(=O)O Z1198221945 [1,1,0,0,0,0|1,0,0]=3 345 B7R0.13 CCC(C)(C)C(=O)N Z995039228 [1,1,0,0,0,0|2,0,0]=4 346 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [1,1,0,0,0,0|1,0,0]=3 347 B7R0.13 CCC(C)(N)C(=O)N Z992716994 [1,1,0,0,0,0|1,0,0]=3 348 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [1,1,0,0,0,0|0,0,0]=2 349 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [1,1,0,0,0,0|1,0,0]=3 350 B7R0.13 CNC(C)(C)C(=O)O Z2381576028 [1,1,0,0,0,0|2,0,0]=4 351 B7R0.13 COC(C)(C)C(=O)O Z803492148 [1,1,0,0,0,0|2,0,0]=4 352 B7R0.13 CSC(C)(C)C(=O)O Z803544000 [1,1,0,0,0,0|2,0,0]=4 353 B7R0.14 CCC(N)C(C)(C)O Z2216302967 [1,1,0,0,0,0|1,0,1]=4 354 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [1,1,0,0,0,0|0,0,1]=3 355 B7R0.15 CCC(CC)C(=O)N Z365255920 [1,1,0,0,0,0|2,0,0]=4 356 B7R0.15 CCC(CO)C(=O)[O-] Z2442085377 [1,1,0,0,0,0|1,0,1]=4 357 B7R0.15 CCC(NC)C(=O)O Z818727142 [1,1,0,0,0,0|0,0,0]=2 358 B7R0.15 CCC(OC)C(=O)O Z449367058 [1,1,0,0,0,0|1,0,0]=3 359 B7R0.15 CCC(SC)C(=O)O Z732206700 [1,1,0,0,0,0|1,0,0]=3 360 B7R0.15 CNC(CN)C(=O)O Z1982493964 [1,1,0,0,0,0|1,0,0]=3 361 B7R0.15 COC(CN)C(=O)O Z1603778808 [1,1,0,0,0,0|1,0,0]=3 362 B7R0.15 NCC(CN)C(=O)O Z5183354524 [1,1,0,0,0,0|1,0,0]=3 363 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [1,1,0,0,0,0|1,0,1]=4 364 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [1,1,0,0,0,0|1,0,0]=3 365 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [1,1,0,0,0,0|1,0,0]=3 366 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [1,1,0,0,0,0|1,0,0]=3 367 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [1,1,0,0,0,0|1,0,0]=3 368 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [1,1,0,0,0,0|0,0,0]=2 369 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [1,1,0,0,0,0|1,0,0]=3 370 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [1,1,0,0,0,0|1,0,0]=3 371 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [1,1,0,0,0,0|0,0,0]=2 372 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [1,1,0,0,0,0|0,0,0]=2 373 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [1,1,0,0,0,0|1,0,0]=3 374 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [1,1,0,0,0,0|1,0,0]=3 375 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [1,1,0,0,0,0|2,0,0]=4 376 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [1,1,0,0,0,0|0,0,0]=2 377 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [1,1,0,0,0,0|0,0,0]=2 378 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [1,1,0,0,0,0|2,0,0]=4 379 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [1,1,0,0,0,0|0,0,0]=2 380 B7R0.4 C#CCNCC(=O)O Z2513337624 [1,1,0,0,0,0|1,0,1]=4 381 B7R0.4 C#CCOCC(=O)O Z362807246 [1,1,0,0,0,0|1,0,1]=4 382 B7R0.4 C#CCSCC(=O)O Z149151642 [1,1,0,0,0,0|1,0,1]=4 383 B7R0.4 C=CCCCC(=O)O Z1205493561 [1,1,0,0,0,0|1,0,0]=3 384 B7R0.4 C=CCNCC(=O)O Z803145546 [1,1,0,0,0,0|1,0,1]=4 385 B7R0.4 C=CCOCC(=O)O Z362807794 [1,1,0,0,0,0|1,0,1]=4 386 B7R0.4 C=CCSCC(=O)O Z149151274 [1,1,0,0,0,0|1,0,1]=4 387 B7R0.4 CC#CCCC(=O)O Z1205493674 [1,1,0,0,0,0|1,0,1]=4 388 B7R0.4 CC(=O)NCCCN Z295405102 [1,1,0,0,0,0|2,0,0]=4 389 B7R0.4 CC(=O)NCCCO Z353570744 [1,1,0,0,0,0|1,1,0]=4 390 B7R0.4 CCC/C=C/C(=O)O Z104506794 [1,1,0,0,0,0|1,0,1]=4 391 B7R0.4 CCCCCC(=O)O Z104503532 [1,1,0,0,0,0|1,0,0]=3 392 B7R0.4 CCCCOC(=O)N Z104476286 [1,1,0,0,0,0|2,0,0]=4 393 B7R0.4 CCCNCC(=O)N Z2211231296 [1,1,0,0,0,0|2,0,0]=4 394 B7R0.4 CCCNCC(=O)O Z744582718 [1,1,0,0,0,0|1,0,0]=3 395 B7R0.4 CCCOCC(=O)O Z406677750 [1,1,0,0,0,0|1,0,0]=3 396 B7R0.4 CCCSCC(=O)C Z447929234 [1,1,0,0,0,0|2,0,0]=4 397 B7R0.4 CCCSCC(=O)O Z228425458 [1,1,0,0,0,0|1,0,0]=3 398 B7R0.4 CCNCCC(=O)N Z2681234913 [1,1,0,0,0,0|2,0,0]=4 399 B7R0.4 CCNCCC(=O)O Z1869802098 [1,1,0,0,0,0|1,0,0]=3 400 B7R0.4 CCOCCC(=O)O Z316258938 [1,1,0,0,0,0|1,0,0]=3 401 B7R0.4 CCSCCC(=O)O Z197206046 [1,1,0,0,0,0|1,0,0]=3 402 B7R0.4 CNCCCC(=O)O Z57043473 [1,1,0,0,0,0|1,0,0]=3 403 B7R0.4 COCCCC(=O)C Z406376722 [1,1,0,0,0,0|1,1,0]=4 404 B7R0.4 COCCCC(=O)O Z316258912 [1,1,0,0,0,0|0,1,0]=3 405 B7R0.4 CSCCCC(=O)O Z54602911 [1,1,0,0,0,0|0,0,0]=2 406 B7R0.4 N#CCCCC(=O)O Z1198152304 [1,1,0,0,0,0|1,0,0]=3 407 B7R0.4 N#CCSCC(=O)O Z19691779 [1,1,0,0,0,0|1,0,1]=4 408 B7R0.4 NC(=O)COCCO Z1198148880 [1,1,0,0,0,0|1,1,0]=4 409 B7R0.4 NC(=O)NCCCO Z198194722 [1,1,0,0,0,0|1,1,0]=4 410 B7R0.4 NCCCCC(=O)N Z1639630947 [1,1,0,0,0,0|2,0,0]=4 411 B7R0.4 NCCCCC(=O)O Z271111992 [1,1,0,0,0,0|1,0,0]=3 412 B7R0.4 NCCCOC(=O)N Z3337481796 [1,1,0,0,0,0|2,0,0]=4 413 B7R0.4 NCCNCC(=O)O Z2692249907 [1,1,0,0,0,0|1,0,0]=3 414 B7R0.4 NCCOCC(=O)N Z1428158847 [1,1,0,0,0,0|2,0,0]=4 415 B7R0.4 NCCOCC(=O)O Z1650039500 [1,1,0,0,0,0|1,0,0]=3 416 B7R0.4 NCCSCC(=O)O Z1381287295 [1,1,0,0,0,0|1,0,0]=3 417 B7R0.4 O=C(O)CCCCBr Z104479696 [1,1,0,0,0,0|1,0,0]=3 418 B7R0.4 O=C(O)CCCCS Z808230828 [1,1,0,0,0,0|0,0,0]=2 419 B7R0.4 O=C(O)CNCCO Z425411352 [1,1,0,0,0,0|0,1,0]=3 420 B7R0.4 O=C([O-])CCCCO Z2335631573 [1,1,0,0,0,0|0,1,1]=4 421 B7R0.4 O=C([O-])COCCO Z1744715804 [1,1,0,0,0,0|0,1,1]=4 422 B7R0.6 CC(=O)CCC(=O)O Z104477318 [1,1,0,0,0,0|0,1,1]=4 423 B7R0.6 CC(C)CCC(=O)O Z56347204 [1,1,0,0,0,0|1,0,0]=3 424 B7R0.6 CC(C)NCC(=O)O Z359419672 [1,1,0,0,0,0|2,0,0]=4 425 B7R0.6 CC(C)OCC(=O)O Z316259244 [1,1,0,0,0,0|2,0,0]=4 426 B7R0.6 CC(C)SCC(=O)O Z214812600 [1,1,0,0,0,0|2,0,0]=4 427 B7R0.6 CC(N)CCC(=O)O Z1235963367 [1,1,0,0,0,0|1,0,0]=3 428 B7R0.6 CC(O)CCC(=O)O Z838959470 [1,1,0,0,0,0|0,1,0]=3 429 B7R0.6 CN(C)CCC(=O)O Z168912830 [1,1,0,0,0,0|2,0,0]=4 430 B7R0.6 CS(=O)CCC(=O)O Z667974346 [1,1,0,0,0,0|1,1,0]=4 431 B7R0.6 O=C(O)CCC(=O)O Z57127453 [1,1,0,0,0,0|0,1,1]=4 432 B7R0.8 NCCCS(=O)(=O)O Z1203578094 [1,1,0,0,0,0|2,0,0]=4 433 B9R0.4 CC(CC(=O)O)NCCO Z431539096 [0,1,0,0,0,1|1,1,0]=4 434 B9R0.6 CCCC(C)C(N)C(=O)O Z905051876 [0,1,0,0,0,1|2,0,0]=4 435 B9R0.14 CCCC(CC)CC(=O)O Z1198149106 [0,1,0,0,0,1|2,0,0]=4 436 B9R0.23 CCC(C)C(O)CC(=O)O Z982132268 [0,1,0,0,0,1|2,0,0]=4 437 B9R0.34 C#CCC(N)CC(=O)OC Z3825461044 [0,1,0,0,0,1|1,0,1]=4 438 B9R0.34 CCCC(N)CC(=O)OC Z1582263053 [0,1,0,0,0,1|1,0,0]=3 439 B9R0.53 CC(C)CC(C)CC(=O)O Z352782544 [0,1,0,0,0,1|2,0,0]=4 440 B9R0.53 CC(C)CC(N)CC(=O)O Z3251695059 [0,1,0,0,0,1|1,0,0]=3 441 B9R0.58 CCCC(C)(C)CC(=O)O Z1198160073 [0,1,0,0,0,1|2,0,0]=4 442 B9R0.58 COCC(C)(N)CC(=O)O Z3379727619 [0,1,0,0,0,1|2,0,0]=4 443 B9R0.58 NCCC(F)(F)CC(=O)O Z3821935122 [0,1,0,0,0,1|2,0,0]=4 444 B9R0.27 C=CC(C)C(N)C(=O)OC Z1592025232 [0,2,0,0,0,0|1,0,1]=4 445 B9R0.27 CCC(C)C(N)C(=O)OC Z90123616 [0,2,0,0,0,0|1,0,0]=3 446 B9R0.27 CCC(N)C(O)C(=O)OC Z2232973431 [0,2,0,0,0,0|2,0,0]=4 447 B9R0.27 CCC(O)C(C)C(=O)OC Z982132706 [0,2,0,0,0,0|2,0,0]=4 448 B9R0.28 CCC(N)C(C)(C)C(=O)O Z1262517126 [0,2,0,0,0,0|2,0,0]=4 449 B9R0.28 CCC(O)C(F)(F)C(=O)O Z982139396 [0,2,0,0,0,0|2,0,0]=4 450 B9R0.29 CCC(C)C(NC)C(=O)O Z2472857058 [0,2,0,0,0,0|1,0,0]=3 451 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)O Z1205493806 [0,2,0,0,0,0|1,1,0]=4 452 B9R0.32 CCC(C)(C)C(N)C(=O)O Z2429425649 [0,2,0,0,0,0|1,0,0]=3 453 B9R0.32 CCC(C)(O)C(O)C(=O)O Z1205494592 [0,2,0,0,0,0|2,0,0]=4 454 B9R0.41 CCC(CC)C(N)C(=O)O Z1269638502 [0,2,0,0,0,0|1,0,0]=3 455 B9R0.79 CC(C)C(C)C(N)C(=O)O Z1203580293 [0,2,0,0,0,0|1,0,0]=3 456 B9R0.79 CC(C)C(N)C(O)C(=O)O Z1203578698 [0,2,0,0,0,0|2,0,0]=4 457 B9R0.8 CCCCC(N)C(=O)NO Z1184862892 [0,2,0,0,0,0|1,0,0]=3 458 B9R0.8 CCCCC(N)C(=O)OC Z1675167157 [0,2,0,0,0,0|1,0,0]=3 459 B9R0.8 CCNCC(C)C(=O)OC Z431542702 [0,2,0,0,0,0|2,0,0]=4 460 B9R0.8 CNC(=O)C(O)CCSC Z1629562419 [0,2,0,0,0,0|2,0,0]=4 461 B9R0.8 COCCC(N)C(=O)OC Z2168389573 [0,2,0,0,0,0|0,1,0]=3 462 B9R0.60 CCCC(C)(N)C(=O)OC Z324254272 [0,2,0,0,0,0|1,0,0]=3 463 B9R0.60 COC(=O)C(C)(C)CCN Z2037273259 [0,2,0,0,0,0|2,0,0]=4 464 B9R0.60 COCC(C)(N)C(=O)OC Z898422656 [0,2,0,0,0,0|2,0,0]=4 465 B9R0.7 CC(=CCC(N)C(=O)O)C Z317024968 [0,2,0,0,0,0|1,0,1]=4 466 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [0,2,0,0,0,0|0,1,0]=3 467 B9R0.7 CC(C)CCC(N)C(=O)O Z1259339953 [0,2,0,0,0,0|1,0,0]=3 468 B9R0.7 CC(C)COC(C)C(=O)O Z316259214 [0,2,0,0,0,0|2,0,0]=4 469 B9R0.7 CC(CCN(C)C)C(=O)O Z2754060676 [0,2,0,0,0,0|2,0,0]=4 470 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [0,2,0,0,0,0|0,0,1]=3 471 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [0,2,0,0,0,0|0,1,0]=3 472 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [0,2,0,0,0,0|0,1,0]=3 473 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [0,2,0,0,0,0|0,1,0]=3 474 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [0,2,0,0,0,0|0,1,0]=3 475 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [0,2,0,0,0,0|0,1,0]=3 476 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [0,2,0,0,0,0|0,1,0]=3 477 B9R0.13 CCC(CCOC)C(=O)O Z756391352 [0,2,0,0,0,0|1,1,0]=4 478 B9R0.13 CCCCC(CC)C(=O)O Z104478072 [0,2,0,0,0,0|2,0,0]=4 479 B9R0.13 COC(CCSC)C(=O)O Z1592680734 [0,2,0,0,0,0|1,0,0]=3 480 B9R0.42 CCC(=O)CC(N)C(=O)O Z1820077230 [0,2,0,0,0,0|1,0,0]=3 481 B9R0.42 CCC(C)CC(N)C(=O)O Z2306603552 [0,2,0,0,0,0|1,0,0]=3 482 B9R0.42 COC(=O)C[C@H](N)C(=O)O Z1079458540 [0,2,0,0,0,0|0,1,1]=4 483 B9R0.42 O=C(O)C(O)CC(O)CO Z1262514590 [0,2,0,0,0,0|1,1,0]=4 484 B9R0.47 C#CCCCC(N)C(=O)O Z3325155760 [0,2,0,0,0,0|1,0,0]=3 485 B9R0.47 C=CCCCC(N)C(=O)O Z2906280520 [0,2,0,0,0,0|1,0,0]=3 486 B9R0.47 C=CCCOC(C)C(=O)O Z362807908 [0,2,0,0,0,0|2,0,0]=4 487 B9R0.47 CC(CSCCN)C(=O)O Z2379806326 [0,2,0,0,0,0|2,0,0]=4 488 B9R0.47 CCC/C=C/C(O)C(=O)O Z2681277218 [0,2,0,0,0,0|2,0,0]=4 489 B9R0.47 CCCCCC(O)C(=O)O Z788000584 [0,2,0,0,0,0|2,0,0]=4 490 B9R0.47 CCCCOC(C)C(=O)O Z409190966 [0,2,0,0,0,0|2,0,0]=4 491 B9R0.47 CCCCSC(C)C(=O)O Z149191762 [0,2,0,0,0,0|2,0,0]=4 492 B9R0.47 CCCSCC(N)C(=O)O Z444349874 [0,2,0,0,0,0|1,0,0]=3 493 B9R0.47 COCCCC(N)C(=O)O Z1428160326 [0,2,0,0,0,0|0,1,0]=3 494 B9R0.47 COCCOC(C)C(=O)O Z316259198 [0,2,0,0,0,0|1,1,0]=4 495 B9R0.47 CSCCCC(N)C(=O)O Z3274997631 [0,2,0,0,0,0|0,0,0]=2 496 B9R0.47 NCC#CCC(N)C(=O)O Z1650644415 [0,2,0,0,0,0|1,0,0]=3 497 B9R0.47 NCCCCC(N)C(=O)O Z57127389 [0,2,0,0,0,0|1,0,0]=3 498 B9R0.47 NCCCC[C@H](N)C(=O)O Z812534818 [0,2,0,0,0,0|1,0,0]=3 499 B9R0.51 CC(C)(CCC#N)C(=O)O Z1205495852 [0,2,0,0,0,0|2,0,0]=4 500 B9R0.51 CC(C)(CCCN)C(=O)O Z1516115695 [0,2,0,0,0,0|2,0,0]=4 501 B9R0.51 CCCCC(C)(F)C(=O)O Z1508949719 [0,2,0,0,0,0|2,0,0]=4 502 B9R0.51 COCCC(C)(C)C(=O)O Z995179662 [0,2,0,0,0,0|1,1,0]=4 503 B9R0.11 CC(C)(CC(F)F)C(=O)O Z1321944873 [0,2,0,0,0,0|2,0,0]=4 504 B9R0.11 CC(C)CC(C)(C)C(=O)O Z995179602 [0,2,0,0,0,0|2,0,0]=4 505 B9R0.11 CC(C)CC(C)(N)C(=O)N Z477337822 [0,2,0,0,0,0|2,0,0]=4 506 B9R0.11 CC(C)CC(C)(N)C(=O)O Z4767745729 [0,2,0,0,0,0|1,0,0]=3 507 B9R0.74 CCC(N)(COC)C(=O)O Z2217033049 [0,2,0,0,0,0|2,0,0]=4 508 B9R0.74 CNC(C)(COC)C(=O)O Z2234185714 [0,2,0,0,0,0|2,0,0]=4 509 B9R0.74 COCC(C)(CN)C(=O)O Z5935120070 [0,2,0,0,0,0|2,0,0]=4 510 B9R0.15 CCCC(CCC)C(=O)O Z756391526 [0,2,0,0,0,0|2,0,0]=4 511 B9R0.15 NCCC(CCN)C(=O)O Z1415893857 [0,2,0,0,0,0|1,0,0]=3 512 B9R0.33 CCCC(C(=O)O)C(C)C Z756391686 [0,2,0,0,0,0|2,0,0]=4 513 B9R0.33 CCCC(C(=O)O)N(C)C Z448003350 [0,2,0,0,0,0|1,0,0]=3 514 B9R0.33 CN(C)C(CCO)C(=O)O Z5134019755 [0,2,0,0,0,0|0,1,0]=3 515 B9R0.33 COCC(C(=O)O)N(C)C Z4653441284 [0,2,0,0,0,0|2,0,0]=4 516 B9R0.39 CC(C)CC(CN)C(=O)O Z1948934651 [0,2,0,0,0,0|1,0,0]=3 517 B9R0.39 CCC(CC(C)C)C(=O)O Z756391140 [0,2,0,0,0,0|2,0,0]=4 518 B9R0.39 CCC(CC(F)F)C(=O)O Z1321943682 [0,2,0,0,0,0|2,0,0]=4 519 B9R0.39 COC(CC(C)C)C(=O)O Z1205496164 [0,2,0,0,0,0|2,0,0]=4 520 B9R0.39 NCC(CC(=O)O)C(=O)O Z1532540523 [0,2,0,0,0,0|0,1,1]=4 521 B9R0.57 CC(C)(C)CC(N)C(=O)O Z1492781338 [0,2,0,0,0,0|1,0,0]=3 522 B9R0.57 CC(C)(C)CC(O)C(=O)O Z1041195612 [0,2,0,0,0,0|2,0,0]=4 523 B9R0.57 CC(C)(Cl)CC(N)C(=O)O Z2432627366 [0,2,0,0,0,0|1,0,0]=3 524 B9R0.57 CC(CC(C)(C)C)C(=O)O Z1198149948 [0,2,0,0,0,0|2,0,0]=4 525 B9R0.57 CC(CC(C)(C)N)C(=O)O Z1742056030 [0,2,0,0,0,0|2,0,0]=4 526 B9R0.57 CC(CC(F)(F)F)C(=O)O Z1201619644 [0,2,0,0,0,0|2,0,0]=4 527 B9R0.57 CC(F)(F)CC(N)C(=O)O Z3325264018 [0,2,0,0,0,0|1,0,0]=3 528 B9R0.57 NC(CC(F)(F)F)C(=O)O Z1357902358 [0,2,0,0,0,0|1,0,0]=3 529 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Z1198149799 [0,2,0,0,0,0|1,1,0]=4 530 B7R1.1 O=CC1CCCC1 Z875036058 [1,0,0,1,0,0|2,0,0]=4 531 B7R1.1 O=CC1CCOC1 Z199056102 [1,0,0,1,0,0|1,1,0]=4 532 B7R1.1 O=CC1CCSC1 Z1201681645 [1,0,0,1,0,0|1,0,0]=3 533 B7R1.1 OCC1CCCN1 Z825308062 [1,0,0,1,0,0|1,0,1]=4 534 B7R1.1 OCC1CCSC1 Z1201679855 [1,0,0,1,0,0|1,0,1]=4 535 B7R1.1 OC[C@@H]1CCCN1 Z1123715411 [1,0,0,1,0,0|1,0,1]=4 536 B7R1.2 CC1CC(CO1)N Z2418414350 [1,0,0,1,0,0|1,0,1]=4 537 B7R1.3 NC1C=CCCC1 Z1203579654 [1,0,0,1,0,0|2,0,0]=4 538 B7R1.3 NC1CCCOC1 Z1013492300 [1,0,0,1,0,0|1,0,1]=4 539 B7R1.3 NC1CCSCC1 Z992716928 [1,0,0,1,0,0|1,0,1]=4 540 B7R1.4 CC1CCCC1=O Z813018382 [1,0,0,1,0,0|2,0,0]=4 541 B7R1.4 CC1CCNC1=O Z1198147219 [1,0,0,1,0,0|2,0,0]=4 542 B7R1.4 CC1SCCC1N Z2408712737 [1,0,0,1,0,0|1,0,1]=4 543 B7R1.4 NC1CCOC1=O Z56921763 [1,0,0,1,0,0|0,1,0]=3 544 B7R1.4 NC1CCSC1=O Z56922158 [1,0,0,1,0,0|0,0,0]=2 545 B7R1.4 NC1CONC1=O Z336087816 [1,0,0,1,0,0|2,0,0]=4 546 B7R1.4 NN1CCOC1=O Z1198147716 [1,0,0,1,0,0|1,1,0]=4 547 B7R1.4 N[C@@H]1CCC[C@@H]1O Z2306841441 [1,0,0,1,0,0|1,0,1]=4 548 B7R1.4 N[C@@H]1CCC[C@H]1O Z2256393934 [1,0,0,1,0,0|1,0,1]=4 549 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [1,0,0,1,0,0|0,0,0]=2 550 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [1,0,0,1,0,0|2,0,0]=4 551 B7R1.4 N[C@H]1CCC[C@@H]1O Z1197994837 [1,0,0,1,0,0|1,0,1]=4 552 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [1,0,0,1,0,0|0,0,0]=2 553 B7R1.4 N[C@H]1CONC1=O Z1201618622 [1,0,0,1,0,0|2,0,0]=4 554 B7R1.4 O=C1CCCC1Cl Z104492966 [1,0,0,1,0,0|2,0,0]=4 555 B7R1.4 O=C1NCCC1F Z1203745843 [1,0,0,1,0,0|2,0,0]=4 556 B7R1.9 CCC1CC1C=O Z1513989944 [1,0,0,1,0,0|2,0,0]=4 557 B7R1.9 CC[C@@H]1C[C@H]1C=O Z3300760890 [1,0,0,1,0,0|2,0,0]=4 558 B7R1.22 C=CC(N)C1CC1 Z3444558430 [1,0,0,1,0,0|2,0,0]=4 559 B7R1.22 CC(C=O)C1CC1 Z1263529480 [1,0,0,1,0,0|2,0,0]=4 560 B7R1.22 NC(CO)C1CC1 Z1362754532 [1,0,0,1,0,0|1,0,1]=4 561 B7R1.25 C=CC1(CCC1)N Z3241265563 [1,0,0,1,0,0|2,0,0]=4 562 B7R1.25 CC1(CCC1)C=O Z1198728427 [1,0,0,1,0,0|2,0,0]=4 563 B7R1.25 NC1(CCC1)CO Z1203581511 [1,0,0,1,0,0|1,0,1]=4 564 B7R1.27 CC1CC1(C)C=O Z1513984691 [1,0,0,1,0,0|2,0,0]=4 565 B7R1.12 CC(=O)C1CC1C Z1259336498 [1,0,0,1,0,0|2,0,0]=4 566 B7R1.12 CC1CC1C(=O)N Z33546780 [1,0,0,1,0,0|2,0,0]=4 567 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [1,0,0,1,0,0|1,0,0]=3 568 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [1,0,0,1,0,0|1,0,0]=3 569 B7R1.18 NC(=O)C1CCC1 Z33546656 [1,0,0,1,0,0|2,0,0]=4 570 B7R1.18 O=C(O)C1CCC1 Z104472264 [1,0,0,1,0,0|1,0,0]=3 571 B7R1.18 O=C(O)C1CCN1 Z168878270 [1,0,0,1,0,0|0,0,0]=2 572 B7R1.18 O=C(O)C1CNC1 Z1171217434 [1,0,0,1,0,0|2,0,0]=4 573 B7R1.18 O=C(O)C1CSC1 Z1205495555 [1,0,0,1,0,0|1,0,0]=3 574 B7R1.19 CC(=O)C1(CC1)C Z56969338 [1,0,0,1,0,0|2,0,0]=4 575 B7R1.19 CC(=O)C1(CC1)N Z2273234943 [1,0,0,1,0,0|1,0,0]=3 576 B7R1.19 CC1(CC1)C(=O)N Z1203578696 [1,0,0,1,0,0|2,0,0]=4 577 B7R1.19 CC1(CC1)C(=O)O Z1205493633 [1,0,0,1,0,0|1,0,0]=3 578 B7R1.19 NC(=O)C1(CC1)N Z1415893881 [1,0,0,1,0,0|1,0,0]=3 579 B7R1.19 NC1(CC1)C(=O)O Z235362779 [1,0,0,1,0,0|0,0,0]=2 580 B7R1.19 O=C(O)C1(CC1)O Z216340524 [1,0,0,1,0,0|1,0,0]=3 581 B7R1.20 CC(=O)CC1CC1 Z1198160502 [1,0,0,1,0,0|2,0,0]=4 582 B7R1.20 NC(=O)CC1CC1 Z365255854 [1,0,0,1,0,0|2,0,0]=4 583 B7R1.20 O=C(O)CC1CC1 Z234893653 [1,0,0,1,0,0|1,0,0]=3 584 B9R1.13 NC(=O)CC1CCCN1 Z1459435572 [0,0,0,1,0,1|2,0,0]=4 585 B9R1.13 O=C(O)CC1C=CCC1 Z104507506 [0,0,0,1,0,1|2,0,0]=4 586 B9R1.13 O=C(O)CC1CCCC1 Z104477042 [0,0,0,1,0,1|2,0,0]=4 587 B9R1.13 O=C(O)CC1CCCN1 Z1480642793 [0,0,0,1,0,1|1,0,0]=3 588 B9R1.13 O=C(O)CC1CCNC1 Z1863617764 [0,0,0,1,0,1|2,0,0]=4 589 B9R1.13 O=C(O)CC1CCOC1 Z825745916 [0,0,0,1,0,1|1,1,0]=4 590 B9R1.13 O=C(O)C[C@@H]1CCCO1 Z1862025858 [0,0,0,1,0,1|2,0,0]=4 591 B9R1.13 O=C(O)C[C@H]1CCOC1 Z1205495408 [0,0,0,1,0,1|1,1,0]=4 592 B9R1.41 CC1CCCC1C(=O)O Z1205493876 [0,0,0,1,0,1|2,0,0]=4 593 B9R1.41 CC1CCNC1C(=O)O Z1708090072 [0,0,0,1,0,1|2,0,0]=4 594 B9R1.41 NC(=O)C1CCCC1N Z1203642185 [0,0,0,1,0,1|2,0,0]=4 595 B9R1.41 NC(=O)[C@H]1CCC[C@H]1N Z2311233523 [0,0,0,1,0,1|2,0,0]=4 596 B9R1.41 NC(=O)[C@H]1OCC[C@H]1N Z3719404582 [0,0,0,1,0,1|1,1,0]=4 597 B9R1.41 NC1CCCC1C(=O)O Z1250132738 [0,0,0,1,0,1|1,0,0]=3 598 B9R1.41 NN1CCC[C@@H]1C(=O)O Z1205495541 [0,0,0,1,0,1|2,0,0]=4 599 B9R1.41 NN1CCC[C@H]1C(=O)O Z1205494129 [0,0,0,1,0,1|2,0,0]=4 600 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Z2568674579 [0,0,0,1,0,1|1,0,0]=3 601 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)O Z2937968219 [0,0,0,1,0,1|0,1,0]=3 602 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Z2327569946 [0,0,0,1,0,1|1,0,0]=3 603 B9R1.41 O=C(O)C1CCCC1O Z1080722426 [0,0,0,1,0,1|2,0,0]=4 604 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F Z3305005618 [0,0,0,1,0,1|2,0,0]=4 605 B9R1.53 NC1CC(C1)CC(=O)O Z2832014018 [0,0,0,1,0,1|2,0,0]=4 606 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O Z3032846287 [0,0,0,1,0,1|2,0,0]=4 607 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O Z2310055381 [0,0,0,1,0,1|2,0,0]=4 608 B9R1.86 NC[C@@H]1C[C@@H]1CC(=O)O Z4913154380 [0,0,0,1,0,1|2,0,0]=4 609 B9R1.137 CC(CC(=O)O)C1CC1 Z352782228 [0,0,0,1,0,1|2,0,0]=4 610 B9R1.137 NC(=O)CC(N)C1CC1 Z1259339889 [0,0,0,1,0,1|2,0,0]=4 611 B9R1.137 NC(CC(=O)O)C1CC1 Z975824848 [0,0,0,1,0,1|1,0,0]=3 612 B9R1.171 NC(=O)CC1(CCC1)N Z1415889529 [0,0,0,1,0,1|2,0,0]=4 613 B9R1.171 NC1(CCC1)CC(=O)O Z1318147475 [0,0,0,1,0,1|1,0,0]=3 614 B9R1.3 CC1CCNC(=O)C1N Z1203587127 [0,1,0,1,0,0|2,0,0]=4 615 B9R1.3 CN1CCCC(C1=O)N Z1203581592 [0,1,0,1,0,0|2,0,0]=4 616 B9R1.3 NC1CCCN(C1=O)O Z1203581684 [0,1,0,1,0,0|1,0,0]=3 617 B9R1.96 NC[C@@H]1CC[C@@H]1C(=O)O Z4659668967 [0,1,0,1,0,0|2,0,0]=4 618 B9R1.101 COC(=O)C(O)C1CC1 Z965047816 [0,1,0,1,0,0|2,0,0]=4 619 B9R1.110 CC(C(=O)O)C1CCC1 Z1198237996 [0,1,0,1,0,0|2,0,0]=4 620 B9R1.110 CC(C(=O)O)C1CNC1 Z1741794178 [0,1,0,1,0,0|2,0,0]=4 621 B9R1.110 CC(C(=O)O)N1CCC1 Z2310732393 [0,1,0,1,0,0|2,0,0]=4 622 B9R1.110 NC(C(=O)O)C1CCC1 Z1309515310 [0,1,0,1,0,0|1,0,0]=3 623 B9R1.110 O=C(O)C(O)C1CCC1 Z1205496047 [0,1,0,1,0,0|2,0,0]=4 624 B9R1.111 CC(C(=O)O)C1(CC1)N Z2327568962 [0,1,0,1,0,0|2,0,0]=4 625 B9R1.111 CC1(CC1)C(N)C(=O)O Z2940229290 [0,1,0,1,0,0|1,0,0]=3 626 B9R1.127 CCC1(CC1C(=O)O)C Z979743330 [0,1,0,1,0,0|2,0,0]=4 627 B9R1.132 N[C@H]1C(=O)OC[C@H]1CO Z4342606943 [0,1,0,1,0,0|0,1,0]=3 628 B9R1.188 COC(=O)[C@]1(C[C@H]1C)N Z4178104558 [0,1,0,1,0,0|1,0,0]=3 629 B9R1.5 NC1CCCCCC1=O Z2213893401 [0,1,0,1,0,0|2,0,0]=4 630 B9R1.5 NC1CCCCNC1=O Z281895050 [0,1,0,1,0,0|2,0,0]=4 631 B9R1.11 CNC(=O)C1CCCN1 Z252845110 [0,1,0,1,0,0|2,0,0]=4 632 B9R1.11 COC(=O)C1CCCC1 Z18376105 [0,1,0,1,0,0|2,0,0]=4 633 B9R1.11 COC(=O)C1CCCN1 Z240133664 [0,1,0,1,0,0|1,0,0]=3 634 B9R1.11 COC(=O)C1CCNC1 Z1162448855 [0,1,0,1,0,0|2,0,0]=4 635 B9R1.11 COC(=O)C1CCNO1 Z3182027836 [0,1,0,1,0,0|2,0,0]=4 636 B9R1.11 COC(=O)C1CCOC1 Z802555348 [0,1,0,1,0,0|1,1,0]=4 637 B9R1.11 COC(=O)C1CCSS1 Z3302120689 [0,1,0,1,0,0|1,0,0]=3 638 B9R1.11 COC(=O)C1NCCS1 Z1203162102 [0,1,0,1,0,0|2,0,0]=4 639 B9R1.11 COC(=O)[C@@H]1CCCN1 Z1263714077 [0,1,0,1,0,0|1,0,0]=3 640 B9R1.11 O=C(NO)C1CCCO1 Z59183015 [0,1,0,1,0,0|2,0,0]=4 641 B9R1.15 CNC1CCCNC1=O Z1795818556 [0,1,0,1,0,0|2,0,0]=4 642 B9R1.15 NCC1CCCNC1=O Z2289798362 [0,1,0,1,0,0|2,0,0]=4 643 B9R1.69 NC1CCC(=O)NC1=O Z1474026683 [0,1,0,1,0,0|1,1,0]=4 644 B9R1.82 COC(=O)[C@@H]1CC(=O)N1 Z1198222336 [0,1,0,1,0,0|0,1,1]=4 645 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)N Z1147473951 [0,1,0,1,0,0|2,0,0]=4 646 B9R1.186 COC(=O)C1(CCC1)O Z787621610 [0,1,0,1,0,0|2,0,0]=4 647 B9R1.6 CC(=O)C1CCCCN1 Z1954800414 [0,1,0,1,0,0|2,0,0]=4 648 B9R1.6 CC(=O)[C@@H]1CCCCN1 Z1618016835 [0,1,0,1,0,0|2,0,0]=4 649 B9R1.6 CC(=O)[C@H]1CCCCN1 Z2234185612 [0,1,0,1,0,0|2,0,0]=4 650 B9R1.6 NC(=O)C1CCCCN1 Z90122010 [0,1,0,1,0,0|2,0,0]=4 651 B9R1.6 NC(=O)C1CCCNC1 Z85932258 [0,1,0,1,0,0|2,0,0]=4 652 B9R1.6 NC(=O)C1CNCCN1 Z203041340 [0,1,0,1,0,0|2,0,0]=4 653 B9R1.6 NC(=O)C1CSCCN1 Z1198160722 [0,1,0,1,0,0|2,0,0]=4 654 B9R1.6 O=C(O)C1=CCCSC1 Z1172114103 [0,1,0,1,0,0|1,0,1]=4 655 B9R1.6 O=C(O)C1C=CCCC1 Z57127330 [0,1,0,1,0,0|2,0,0]=4 656 B9R1.6 O=C(O)C1C=CCCN1 Z3668162534 [0,1,0,1,0,0|1,0,1]=4 657 B9R1.6 O=C(O)C1C=CCNC1 Z3488456277 [0,1,0,1,0,0|2,0,0]=4 658 B9R1.6 O=C(O)C1CC=CCC1 Z57921336 [0,1,0,1,0,0|2,0,0]=4 659 B9R1.6 O=C(O)C1CC=CCN1 Z3839411211 [0,1,0,1,0,0|1,0,1]=4 660 B9R1.6 O=C(O)C1CCCCC1 Z104475698 [0,1,0,1,0,0|2,0,0]=4 661 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [0,1,0,1,0,0|1,0,0]=3 662 B9R1.6 O=C(O)C1CCCCO1 Z963633098 [0,1,0,1,0,0|2,0,0]=4 663 B9R1.6 O=C(O)C1CCCNC1 Z324553206 [0,1,0,1,0,0|1,0,0]=3 664 B9R1.6 O=C(O)C1CCCOC1 Z445214062 [0,1,0,1,0,0|1,1,0]=4 665 B9R1.6 O=C(O)C1CCCSC1 Z1198485079 [0,1,0,1,0,0|1,0,0]=3 666 B9R1.6 O=C(O)C1CCCSS1 Z1262517456 [0,1,0,1,0,0|1,0,0]=3 667 B9R1.6 O=C(O)C1CCNC=N1 Z2471799191 [0,1,0,1,0,0|1,0,1]=4 668 B9R1.6 O=C(O)C1CCNCC1 Z104474390 [0,1,0,1,0,0|2,0,0]=4 669 B9R1.6 O=C(O)C1CCOCC1 Z85923421 [0,1,0,1,0,0|1,1,0]=4 670 B9R1.6 O=C(O)C1CCSCC1 Z826531634 [0,1,0,1,0,0|1,0,0]=3 671 B9R1.6 O=C(O)C1CCSCN1 Z1235963996 [0,1,0,1,0,0|0,0,0]=2 672 B9R1.6 O=C(O)C1CN=CNC1 Z2327883697 [0,1,0,1,0,0|2,0,0]=4 673 B9R1.6 O=C(O)C1CNCCN1 Z1273089259 [0,1,0,1,0,0|1,0,0]=3 674 B9R1.6 O=C(O)C1COCCN1 Z1255387606 [0,1,0,1,0,0|1,0,0]=3 675 B9R1.6 O=C(O)C1COCCO1 Z362763682 [0,1,0,1,0,0|1,1,0]=4 676 B9R1.6 O=C(O)C1CSCCS1 Z147642878 [0,1,0,1,0,0|1,0,0]=3 677 B9R1.6 O=C(O)C1SCCCS1 Z275241266 [0,1,0,1,0,0|2,0,0]=4 678 B9R1.6 O=C(O)C1SCSCS1 Z221524182 [0,1,0,1,0,0|2,0,0]=4 679 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [0,1,0,1,0,0|1,0,0]=3 680 B9R1.35 CC1CC(CO1)C(=O)O Z1509040560 [0,1,0,1,0,0|1,1,0]=4 681 B9R1.35 CC1CCC(C1)C(=O)O Z1190318311 [0,1,0,1,0,0|2,0,0]=4 682 B9R1.35 CC1COC(C1)C(=O)O Z2785866738 [0,1,0,1,0,0|2,0,0]=4 683 B9R1.35 CC1NC(CS1)C(=O)O Z317026564 [0,1,0,1,0,0|1,0,0]=3 684 B9R1.35 CN1CCC(C1)C(=O)O Z406683232 [0,1,0,1,0,0|2,0,0]=4 685 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [0,1,0,1,0,0|1,0,0]=3 686 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [0,1,0,1,0,0|2,0,0]=4 687 B9R1.35 NC(=O)C1CC(CN1)O Z56960275 [0,1,0,1,0,0|1,1,0]=4 688 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F Z1203582968 [0,1,0,1,0,0|2,0,0]=4 689 B9R1.35 NC1C=CC(C1)C(=O)O Z1350606478 [0,1,0,1,0,0|2,0,0]=4 690 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O Z2307368779 [0,1,0,1,0,0|2,0,0]=4 691 B9R1.35 O=C(O)C1CCC(C1)F Z1981870592 [0,1,0,1,0,0|2,0,0]=4 692 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O Z2470415380 [0,1,0,1,0,0|0,1,0]=3 693 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O Z802856442 [0,1,0,1,0,0|0,1,0]=3 694 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O Z1201624589 [0,1,0,1,0,0|0,1,0]=3 695 B9R1.35 O=C1CC(CN1)C(=O)O Z239137534 [0,1,0,1,0,0|0,1,1]=4 696 B9R1.35 O=C1CC(CS1)C(=O)O Z1201622329 [0,1,0,1,0,0|1,0,1]=4 697 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [0,1,0,1,0,0|1,1,0]=4 698 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [0,1,0,1,0,0|0,1,0]=3 699 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [0,1,0,1,0,0|1,1,0]=4 700 B9R1.35 O=C1CCC(S1)C(=O)O Z1205655674 [0,1,0,1,0,0|1,1,0]=4 701 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [0,1,0,1,0,0|0,1,0]=3 702 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [0,1,0,1,0,0|0,1,0]=3 703 B9R1.35 O=C1CN[C@@H](C1)C(=O)O Z2902023119 [0,1,0,1,0,0|0,1,1]=4 704 B9R1.35 O=C1NC(CO1)C(=O)O Z1201627960 [0,1,0,1,0,0|0,1,1]=4 705 B9R1.35 O=C1NC(CS1)C(=O)O Z199409846 [0,1,0,1,0,0|0,1,1]=4 706 B9R1.35 O=C1NCC(N1)C(=O)O Z1162470818 [0,1,0,1,0,0|0,1,1]=4 707 B9R1.35 O=C1N[C@@H](CS1)C(=O)O Z203038562 [0,1,0,1,0,0|0,1,1]=4 708 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O Z2681202678 [0,1,0,1,0,0|2,0,0]=4 709 B9R1.95 N#C[C@H]1C[C@@H](C1)C(=O)O Z4320204664 [0,1,0,1,0,0|2,0,0]=4 710 B9R1.95 NCC1CC(C1)C(=O)O Z3247510672 [0,1,0,1,0,0|2,0,0]=4 711 B9R1.112 NC(CC1CC1)C(=O)O Z431958560 [0,1,0,1,0,0|1,0,0]=3 712 B9R1.112 O=C(O)C(F)CC1CC1 Z1443587524 [0,1,0,1,0,0|2,0,0]=4 713 B9R1.163 CC(=O)C1(CCCC1)N Z2736561944 [0,1,0,1,0,0|2,0,0]=4 714 B9R1.163 CC1(CCCC1)C(=O)O Z199537270 [0,1,0,1,0,0|2,0,0]=4 715 B9R1.163 CC1(CCCN1)C(=O)O Z1483991628 [0,1,0,1,0,0|1,0,0]=3 716 B9R1.163 CC1(CCCO1)C(=O)O Z1198171568 [0,1,0,1,0,0|1,1,0]=4 717 B9R1.163 CC1(CCCS1)C(=O)O Z1268152237 [0,1,0,1,0,0|1,0,0]=3 718 B9R1.163 CC1(CCNC1)C(=O)O Z1407007571 [0,1,0,1,0,0|2,0,0]=4 719 B9R1.163 CC1(CCOC1)C(=O)O Z995182654 [0,1,0,1,0,0|1,1,0]=4 720 B9R1.163 NC(=O)C1(CCCC1)N Z1267881706 [0,1,0,1,0,0|2,0,0]=4 721 B9R1.163 NC1(CC=CC1)C(=O)O Z3814563789 [0,1,0,1,0,0|1,0,1]=4 722 B9R1.163 NC1(CCCC1)C(=O)O Z234896477 [0,1,0,1,0,0|1,0,0]=3 723 B9R1.163 NC1(CCOC1)C(=O)O Z1124555363 [0,1,0,1,0,0|0,1,0]=3 724 B9R1.163 NC1(CCSC1)C(=O)O Z317024750 [0,1,0,1,0,0|0,0,0]=2 725 B9R1.163 O=C(O)C1(CCCC1)O Z220335554 [0,1,0,1,0,0|2,0,0]=4 726 B9R1.163 O=C(O)C1(CCOC1)F Z1893239035 [0,1,0,1,0,0|1,1,0]=4 727 B9R1.163 O=C(O)C1(CCOC1)O Z1124555786 [0,1,0,1,0,0|1,1,0]=4 728 B9R1.152 C=C1CC(C1)(N)C(=O)O Z4456650800 [0,1,0,1,0,0|1,0,1]=4 729 B9R1.152 CC1(CC(C1)F)C(=O)O Z3211847948 [0,1,0,1,0,0|2,0,0]=4 730 B9R1.152 CC1CC(C1)(N)C(=O)O Z2856166804 [0,1,0,1,0,0|1,0,0]=3 731 B9R1.152 NC1(CC(=O)C1)C(=O)O Z4578587092 [0,1,0,1,0,0|0,1,1]=4 732 B9R1.152 NC1(CC(C1)F)C(=O)O Z2724339187 [0,1,0,1,0,0|1,0,0]=3 733 B9R1.152 NC1(CC(C1)O)C(=O)O Z1255398009 [0,1,0,1,0,0|0,1,0]=3 734 B9R1.152 NC1CC(C1)(O)C(=O)O Z4445501853 [0,1,0,1,0,0|2,0,0]=4 735 B9R1.165 CC(C)(C(=O)O)C1CC1 Z1205494855 [0,1,0,1,0,0|2,0,0]=4 736 B9R1.165 CC(N)(C(=O)N)C1CC1 Z1470344909 [0,1,0,1,0,0|2,0,0]=4 737 B9R1.165 CC(N)(C(=O)O)C1CC1 Z1250132714 [0,1,0,1,0,0|1,0,0]=3 738 B9R1.165 CC(O)(C(=O)O)C1CC1 Z788000400 [0,1,0,1,0,0|2,0,0]=4 739 B9R1.165 O=C(O)C(F)(F)C1CC1 Z1791408651 [0,1,0,1,0,0|2,0,0]=4 740 B9R1.179 CCCC1(CC1)C(=O)O Z1205496166 [0,1,0,1,0,0|2,0,0]=4 741 B9R1.179 O=C(O)C1(CC1)CCO Z1321950923 [0,1,0,1,0,0|1,1,0]=4 742 B9R1.119 CCC1(CCC1)C(=O)O Z1205494281 [0,1,0,1,0,0|2,0,0]=4 743 B9R1.119 CNC1(CCC1)C(=O)O Z2327124607 [0,1,0,1,0,0|1,0,0]=3 744 B9R1.119 COC1(CCC1)C(=O)O Z1592683230 [0,1,0,1,0,0|2,0,0]=4 745 B9R1.119 N#CC1(CCC1)C(=O)O Z825761124 [0,1,0,1,0,0|1,0,1]=4 746 B9R1.119 NCC1(CCC1)C(=O)O Z2037266975 [0,1,0,1,0,0|1,0,0]=3 747 B9R1.119 O=C(O)C1(CCC1)CO Z1263714391 [0,1,0,1,0,0|2,0,0]=4 748 B9R1.130 CC1CC1(C#N)C(=O)O Z1650185273 [0,1,0,1,0,0|1,0,1]=4 749 B9R1.130 C[C@@H]1C[C@@]1(CN)C(=O)O Z3409601701 [0,1,0,1,0,0|1,0,0]=3 750 B9R1.161 CC(C)C1CC1C(=O)O Z975823938 [0,1,0,1,0,0|2,0,0]=4 751 B9R1.164 CC1(CC(C1)C(=O)O)C Z1198158394 [0,1,0,1,0,0|2,0,0]=4 752 B9R1.164 CC1(CC(C1)C(=O)O)O Z1205497177 [0,1,0,1,0,0|1,1,0]=4 753 B9R1.164 O=C(O)C1CC(C1)(F)F Z316121458 [0,1,0,1,0,0|2,0,0]=4 754 B9R1.169 CC1(CC1(F)F)C(=O)O Z1201624185 [0,1,0,1,0,0|2,0,0]=4 755 B9R1.169 CC1(CC1(N)C(=O)O)C Z3674952394 [0,1,0,1,0,0|1,0,0]=3 756 B9R2.145 O=C(O)C12CC(C1)C2 Z1205493798 [0,0,0,2,0,0|2,0,0]=4