0 B8R0.8 C#CCOC(C)C(=O)O Z362807268 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.8 C=CCOC(C)C(=O)O Z362807816 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.8 CC#CCC(N)C(=O)O Z1691545116 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.8 CCCCC(C)C(=O)C Z727719632 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.8 CCCCC(N)C(=O)O Z57127434 [0,0,0,0,0,0|2,0,0]=2 8 B8R0.8 CCCCC(N)C(C)O Z2453175125 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.8 CCCCC(O)C(=O)O Z803065156 [0,0,0,0,0,0|1,0,0]=1 10 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [0,0,0,0,0,0|2,0,0]=2 11 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [0,0,0,0,0,0|2,0,0]=2 12 B8R0.8 CCOCC(C)C(=O)O Z431541098 [0,0,0,0,0,0|3,0,0]=3 13 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [0,0,0,0,0,0|3,0,0]=3 14 B8R0.8 CNCCN(C)C(=O)C Z1190219530 [0,0,0,0,0,0|4,0,0]=4 15 B8R0.8 COCCC(C)C(=O)O Z756390554 [0,0,0,0,0,0|1,1,0]=2 16 B8R0.8 COCCC(N)C(=O)O Z317025018 [0,0,0,0,0,0|1,1,0]=2 17 B8R0.8 COCCC(O)C(C)C Z818738034 [0,0,0,0,0,0|2,1,1]=4 18 B8R0.8 CSCCC(N)C(=O)O Z57127440 [0,0,0,0,0,0|1,0,0]=1 19 B8R0.8 CSCCC(O)C(=O)O Z788000926 [0,0,0,0,0,0|0,0,0]=0 20 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [0,0,0,0,0,0|1,0,0]=1 21 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [0,0,0,0,0,0|1,0,0]=1 22 B8R0.8 N#CCCC(N)C(=O)N Z4876440061 [0,0,0,0,0,0|4,0,0]=4 23 B8R0.8 NCCCC(N)C(=O)O Z104476736 [0,0,0,0,0,0|3,0,0]=3 24 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [0,0,0,0,0,0|3,0,0]=3 25 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [0,0,0,0,0,0|3,0,0]=3 26 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [0,0,0,0,0,0|2,1,0]=3 27 B8R0.8 O=C([O-])C(O)CCCO Z2510259022 [0,0,0,0,0,0|2,0,1]=3 28 B7R0.3 CCOCC(O)CO Z1178483452 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.4 C#CCNCC(=O)O Z2513337624 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.4 C#CCOCC(=O)O Z362807246 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.4 C#CCSCC(=O)O Z149151642 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.4 C=CCCCC(=O)O Z1205493561 [1,0,0,0,0,0|1,0,1]=3 33 B7R0.4 C=CCNCC(=O)O Z803145546 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.4 C=CCOCC(=O)O Z362807794 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.4 C=CCSCC(=O)O Z149151274 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.4 CC#CCCC(=O)O Z1205493674 [1,0,0,0,0,0|1,0,1]=3 37 B7R0.4 CCC/C=C/C(=O)O Z104506794 [1,0,0,0,0,0|1,0,2]=4 38 B7R0.4 CCCCCC(=N)N Z3490473907 [1,0,0,0,0,0|3,0,0]=4 39 B7R0.4 CCCCCC(=O)O Z104503532 [1,0,0,0,0,0|1,0,0]=2 40 B7R0.4 CCCCOC(=O)N Z104476286 [1,0,0,0,0,0|3,0,0]=4 41 B7R0.4 CCCNCC(=O)N Z2211231296 [1,0,0,0,0,0|3,0,0]=4 42 B7R0.4 CCCNCC(=O)O Z744582718 [1,0,0,0,0,0|2,0,0]=3 43 B7R0.4 CCCOCC(=O)O Z406677750 [1,0,0,0,0,0|2,0,0]=3 44 B7R0.4 CCCSCC(=O)C Z447929234 [1,0,0,0,0,0|3,0,0]=4 45 B7R0.4 CCCSCC(=O)O Z228425458 [1,0,0,0,0,0|2,0,0]=3 46 B7R0.4 CCNCCC(=O)N Z2681234913 [1,0,0,0,0,0|3,0,0]=4 47 B7R0.4 CCNCCC(=O)O Z1869802098 [1,0,0,0,0,0|2,0,0]=3 48 B7R0.4 CCOCCC(=O)O Z316258938 [1,0,0,0,0,0|2,0,0]=3 49 B7R0.4 CCSCCC(=O)O Z197206046 [1,0,0,0,0,0|2,0,0]=3 50 B7R0.4 CNCCCC(=O)O Z57043473 [1,0,0,0,0,0|1,0,0]=2 51 B7R0.4 CNCCNC(=O)C Z1456777974 [1,0,0,0,0,0|3,0,0]=4 52 B7R0.4 COCCCC(=N)N Z1267882086 [1,0,0,0,0,0|2,1,0]=4 53 B7R0.4 COCCCC(=O)C Z406376722 [1,0,0,0,0,0|1,1,0]=3 54 B7R0.4 COCCCC(=O)O Z316258912 [1,0,0,0,0,0|0,1,0]=2 55 B7R0.4 COCCCC(C)O Z854048762 [1,0,0,0,0,0|1,1,1]=4 56 B7R0.4 COCCNC(=O)N Z56904572 [1,0,0,0,0,0|2,1,0]=4 57 B7R0.4 CSCCCC(=O)O Z54602911 [1,0,0,0,0,0|0,0,0]=1 58 B7R0.4 N#CCCCC(=O)O Z1198152304 [1,0,0,0,0,0|2,0,0]=3 59 B7R0.4 N#CCSCC(=O)O Z19691779 [1,0,0,0,0,0|3,0,0]=4 60 B7R0.4 NCCCCC(=O)N Z1639630947 [1,0,0,0,0,0|3,0,0]=4 61 B7R0.4 NCCCCC(=O)O Z271111992 [1,0,0,0,0,0|2,0,0]=3 62 B7R0.4 NCCNCC(=O)O Z2692249907 [1,0,0,0,0,0|3,0,0]=4 63 B7R0.4 NCCOCC(=O)O Z1650039500 [1,0,0,0,0,0|3,0,0]=4 64 B7R0.4 NCCSCC(=O)O Z1381287295 [1,0,0,0,0,0|3,0,0]=4 65 B7R0.4 O=C(O)CCCCBr Z104479696 [1,0,0,0,0,0|2,0,0]=3 66 B7R0.4 O=C(O)CCCCS Z808230828 [1,0,0,0,0,0|2,0,0]=3 67 B7R0.4 O=C(O)CNCCO Z425411352 [1,0,0,0,0,0|3,0,0]=4 68 B7R0.4 O=C([O-])CCCCO Z2335631573 [1,0,0,0,0,0|2,0,1]=4 69 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [1,0,0,0,0,0|0,0,2]=3 70 B7R0.5 C=CCC(N)C(=O)O Z317024964 [1,0,0,0,0,0|1,0,2]=4 71 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [1,0,0,0,0,0|1,0,2]=4 72 B7R0.5 CC(CCN)C(=O)O Z2298167292 [1,0,0,0,0,0|2,0,0]=3 73 B7R0.5 CCCC(C)C(=O)O Z104477112 [1,0,0,0,0,0|1,0,0]=2 74 B7R0.5 CCCC(N)C(=O)O Z317024724 [1,0,0,0,0,0|1,0,0]=2 75 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [1,0,0,0,0,0|1,0,0]=2 76 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [1,0,0,0,0,0|1,0,0]=2 77 B7R0.5 CCNC(C)C(=O)O Z3181996310 [1,0,0,0,0,0|2,0,0]=3 78 B7R0.5 CCOC(C)C(=O)O Z316258934 [1,0,0,0,0,0|2,0,0]=3 79 B7R0.5 CNCC(C)C(=O)O Z1270387301 [1,0,0,0,0,0|2,0,0]=3 80 B7R0.5 COCC(C)C(=O)O Z431541094 [1,0,0,0,0,0|1,1,0]=3 81 B7R0.5 COCC(N)C(=O)O Z1613478163 [1,0,0,0,0,0|1,1,0]=3 82 B7R0.5 CSCC(C)C(=O)O Z732206684 [1,0,0,0,0,0|1,0,0]=2 83 B7R0.5 CSCC(N)C(=O)O Z317025996 [1,0,0,0,0,0|1,0,0]=2 84 B7R0.5 NC(CCF)C(=O)O Z2470036329 [1,0,0,0,0,0|2,0,0]=3 85 B7R0.5 NC(CCO)C(=O)O Z234896487 [1,0,0,0,0,0|1,1,0]=3 86 B7R0.5 NCCC(F)C(=O)O Z3235903750 [1,0,0,0,0,0|2,0,0]=3 87 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [1,0,0,0,0,0|2,0,0]=3 88 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [1,0,0,0,0,0|1,0,0]=2 89 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [1,0,0,0,0,0|1,1,0]=3 90 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [1,0,0,0,0,0|1,1,0]=3 91 B9R0.6 CCCC(C)C(N)C(=O)O Z905051876 [0,1,0,0,0,0|2,0,0]=3 92 B9R0.6 COCC(C)C(C)C(=O)O Z1321942658 [0,1,0,0,0,0|1,1,0]=3 93 B9R0.7 C=C(CCN(C)C)C(=O)O Z2582507950 [0,1,0,0,0,0|2,0,1]=4 94 B9R0.7 CC(=CCC(N)C(=O)O)C Z317024968 [0,1,0,0,0,0|2,0,1]=4 95 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [0,1,0,0,0,0|2,0,0]=3 96 B9R0.7 CC(C)CCC(N)C(=O)O Z1259339953 [0,1,0,0,0,0|2,0,0]=3 97 B9R0.7 CC(C)COC(C)C(=O)O Z316259214 [0,1,0,0,0,0|3,0,0]=4 98 B9R0.7 CC(CCN(C)C)C(=O)O Z2754060676 [0,1,0,0,0,0|2,0,0]=3 99 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [0,1,0,0,0,0|1,0,1]=3 100 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [0,1,0,0,0,0|3,0,0]=4 101 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [0,1,0,0,0,0|3,0,0]=4 102 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [0,1,0,0,0,0|3,0,0]=4 103 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [0,1,0,0,0,0|3,0,0]=4 104 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [0,1,0,0,0,0|3,0,0]=4 105 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [0,1,0,0,0,0|3,0,0]=4 106 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] Z3767523054 [0,1,0,0,0,0|2,0,1]=4 107 B9R0.8 CCCCC(N)C(=O)NO Z1184862892 [0,1,0,0,0,0|2,0,0]=3 108 B9R0.8 CCCCC(N)C(=O)OC Z1675167157 [0,1,0,0,0,0|2,0,0]=3 109 B9R0.8 CCNCC(C)C(=O)OC Z431542702 [0,1,0,0,0,0|3,0,0]=4 110 B9R0.8 CNC(=O)C(O)CCSC Z1629562419 [0,1,0,0,0,0|1,0,0]=2 111 B9R0.8 COCCC(N)C(=O)OC Z2168389573 [0,1,0,0,0,0|1,1,0]=3 112 B9R0.13 CCC(CCOC)C(=O)O Z756391352 [0,1,0,0,0,0|1,1,0]=3 113 B9R0.13 CCCCC(CC)C(=O)N Z394696486 [0,1,0,0,0,0|3,0,0]=4 114 B9R0.13 CCCCC(CC)C(=O)O Z104478072 [0,1,0,0,0,0|2,0,0]=3 115 B9R0.13 COC(CCSC)C(=O)O Z1592680734 [0,1,0,0,0,0|0,0,0]=1 116 B9R0.42 CCC(=O)CC(N)C(=O)O Z1820077230 [0,1,0,0,0,0|2,0,1]=4 117 B9R0.42 CCC(C)CC(N)C(=O)O Z2306603552 [0,1,0,0,0,0|2,0,0]=3 118 B9R0.42 COC(=O)C[C@H](N)C(=O)O Z1079458540 [0,1,0,0,0,0|1,1,1]=4 119 B9R0.42 O=C(O)C(O)CC(O)CO Z1262514590 [0,1,0,0,0,0|2,0,0]=3 120 B9R0.47 C#CCCCC(N)C(=O)O Z3325155760 [0,1,0,0,0,0|2,0,1]=4 121 B9R0.47 C=CCCCC(N)C(=O)O Z2906280520 [0,1,0,0,0,0|2,0,1]=4 122 B9R0.47 C=CCCOC(C)C(=O)O Z362807908 [0,1,0,0,0,0|2,0,1]=4 123 B9R0.47 CC(CSCCN)C(=O)O Z2379806326 [0,1,0,0,0,0|3,0,0]=4 124 B9R0.47 CCC/C=C/C(O)C(=O)O Z2681277218 [0,1,0,0,0,0|1,0,1]=3 125 B9R0.47 CCCCCC(O)C(=O)O Z788000584 [0,1,0,0,0,0|1,0,0]=2 126 B9R0.47 CCCCOC(C)C(=O)O Z409190966 [0,1,0,0,0,0|2,0,0]=3 127 B9R0.47 CCCCSC(C)C(=O)O Z149191762 [0,1,0,0,0,0|2,0,0]=3 128 B9R0.47 CCCSCC(N)C(=O)O Z444349874 [0,1,0,0,0,0|2,0,0]=3 129 B9R0.47 COCCCC(N)C(=O)O Z1428160326 [0,1,0,0,0,0|1,1,0]=3 130 B9R0.47 COCCNC(=O)C(=O)O Z424779030 [0,1,0,0,0,0|0,1,2]=4 131 B9R0.47 COCCNC(C)C(=O)N Z1263820333 [0,1,0,0,0,0|2,1,0]=4 132 B9R0.47 COCCOC(C)C(=O)O Z316259198 [0,1,0,0,0,0|1,1,0]=3 133 B9R0.47 CSCCCC(N)C(=O)O Z3274997631 [0,1,0,0,0,0|1,0,0]=2 134 B9R0.47 NCC#CCC(N)C(=O)O Z1650644415 [0,1,0,0,0,0|2,0,1]=4 135 B9R0.47 NCCCCC(N)C(=O)O Z57127389 [0,1,0,0,0,0|2,0,0]=3 136 B9R0.47 NCCCC[C@H](N)C(=O)O Z812534818 [0,1,0,0,0,0|2,0,0]=3 137 B9R0.51 CC(C)(CCC#N)C(=O)O Z1205495852 [0,1,0,0,0,0|3,0,0]=4 138 B9R0.51 CC(C)(CCCN)C(=O)O Z1516115695 [0,1,0,0,0,0|3,0,0]=4 139 B9R0.51 CCCCC(C)(F)C(=O)O Z1508949719 [0,1,0,0,0,0|2,0,0]=3 140 B9R0.51 COCCC(C)(C)C(=O)O Z995179662 [0,1,0,0,0,0|1,1,0]=3 141 B9R1.5 CC1CCCCNC1=O Z1198181151 [0,0,0,1,0,0|3,0,0]=4 142 B9R1.5 NC1CCCCCC1=O Z2213893401 [0,0,0,1,0,0|3,0,0]=4 143 B9R1.5 NC1CCCCNC1=O Z281895050 [0,0,0,1,0,0|3,0,0]=4 144 B9R1.5 O=C1CCCCCC1Cl Z223607164 [0,0,0,1,0,0|3,0,0]=4 145 B9R1.5 O=C1NCCCCC1Br Z220343714 [0,0,0,1,0,0|3,0,0]=4 146 B9R1.5 O[C@H]1CCNCC[C@H]1O Z3681811836 [0,0,0,1,0,0|2,0,1]=4 147 B9R1.6 CC(=O)C1CCCCN1 Z1954800414 [0,0,0,1,0,0|3,0,0]=4 148 B9R1.6 CC(=O)C1CCNCC1 Z1741977299 [0,0,0,1,0,0|3,0,0]=4 149 B9R1.6 CC(=O)C1CCOCC1 Z1178490124 [0,0,0,1,0,0|2,1,0]=4 150 B9R1.6 CC(=O)[C@@H]1CCCCN1 Z1618016835 [0,0,0,1,0,0|3,0,0]=4 151 B9R1.6 CC(=O)[C@H]1CCCCN1 Z2234185612 [0,0,0,1,0,0|3,0,0]=4 152 B9R1.6 NC(=O)C1CCCCC1 Z33546516 [0,0,0,1,0,0|3,0,0]=4 153 B9R1.6 NC(=O)C1CCCCN1 Z90122010 [0,0,0,1,0,0|3,0,0]=4 154 B9R1.6 NC(=O)C1CCNCC1 Z1450533743 [0,0,0,1,0,0|3,0,0]=4 155 B9R1.6 NC(=O)C1CCOCC1 Z82670321 [0,0,0,1,0,0|2,1,0]=4 156 B9R1.6 NC(=O)C1CNCCO1 Z854097660 [0,0,0,1,0,0|3,0,0]=4 157 B9R1.6 NC(=O)[C@@H]1CNCCO1 Z2434225518 [0,0,0,1,0,0|3,0,0]=4 158 B9R1.6 NC(=O)[C@H]1CNCCO1 Z2434225532 [0,0,0,1,0,0|3,0,0]=4 159 B9R1.6 O=C(O)C1C=CCCC1 Z57127330 [0,0,0,1,0,0|2,0,1]=4 160 B9R1.6 O=C(O)C1CC=CCC1 Z57921336 [0,0,0,1,0,0|2,0,1]=4 161 B9R1.6 O=C(O)C1CC=CCN1 Z3839411211 [0,0,0,1,0,0|2,0,1]=4 162 B9R1.6 O=C(O)C1CCCCC1 Z104475698 [0,0,0,1,0,0|2,0,0]=3 163 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [0,0,0,1,0,0|2,0,0]=3 164 B9R1.6 O=C(O)C1CCCCO1 Z963633098 [0,0,0,1,0,0|1,0,0]=2 165 B9R1.6 O=C(O)C1CCCNC1 Z324553206 [0,0,0,1,0,0|3,0,0]=4 166 B9R1.6 O=C(O)C1CCCOC1 Z445214062 [0,0,0,1,0,0|3,0,0]=4 167 B9R1.6 O=C(O)C1CCCSC1 Z1198485079 [0,0,0,1,0,0|3,0,0]=4 168 B9R1.6 O=C(O)C1CCCSS1 Z1262517456 [0,0,0,1,0,0|2,1,0]=4 169 B9R1.6 O=C(O)C1CCNC=N1 Z2471799191 [0,0,0,1,0,0|2,0,1]=4 170 B9R1.6 O=C(O)C1CCNCC1 Z104474390 [0,0,0,1,0,0|2,0,0]=3 171 B9R1.6 O=C(O)C1CCOCC1 Z85923421 [0,0,0,1,0,0|1,1,0]=3 172 B9R1.6 O=C(O)C1CCSCC1 Z826531634 [0,0,0,1,0,0|1,0,0]=2 173 B9R1.6 O=C(O)C1CCSCN1 Z1235963996 [0,0,0,1,0,0|1,0,0]=2 174 B9R1.6 O=C(O)C1CNCCN1 Z1273089259 [0,0,0,1,0,0|3,0,0]=4 175 B9R1.6 O=C(O)C1COCCN1 Z1255387606 [0,0,0,1,0,0|3,0,0]=4 176 B9R1.6 O=C(O)C1COCCO1 Z362763682 [0,0,0,1,0,0|2,0,0]=3 177 B9R1.6 O=C(O)C1CSCCS1 Z147642878 [0,0,0,1,0,0|2,1,0]=4 178 B9R1.6 O=C(O)C1SCCCS1 Z275241266 [0,0,0,1,0,0|2,1,0]=4 179 B9R1.6 O=C(O)C1SCSCS1 Z221524182 [0,0,0,1,0,0|1,1,0]=3 180 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [0,0,0,1,0,0|2,0,0]=3 181 B9R1.6 O=C([O-])C1CCC=CO1 Z1592042421 [0,0,0,1,0,0|1,0,2]=4 182 B9R1.23 CCC1CC(C(=O)N1)C Z1203824349 [0,0,0,1,0,0|3,0,0]=4 183 B9R1.35 CC1C=C(CC1)C(=O)O Z1205494874 [0,0,0,1,0,0|2,0,1]=4 184 B9R1.35 CC1CC(CO1)C(=O)O Z1509040560 [0,0,0,1,0,0|3,0,0]=4 185 B9R1.35 CC1CCC(C1)C(=O)O Z1190318311 [0,0,0,1,0,0|2,0,0]=3 186 B9R1.35 CC1COC(C1)C(=O)O Z2785866738 [0,0,0,1,0,0|3,0,0]=4 187 B9R1.35 CC1NC(CS1)C(=O)O Z317026564 [0,0,0,1,0,0|3,0,0]=4 188 B9R1.35 CN1CCC(C1)C(=O)O Z406683232 [0,0,0,1,0,0|2,0,0]=3 189 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [0,0,0,1,0,0|2,0,0]=3 190 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [0,0,0,1,0,0|1,0,0]=2 191 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O Z2307368779 [0,0,0,1,0,0|3,0,0]=4 192 B9R1.35 O=C(O)C1CCC(C1)F Z1981870592 [0,0,0,1,0,0|3,0,0]=4 193 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [0,0,0,1,0,0|3,0,0]=4 194 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [0,0,0,1,0,0|3,0,0]=4 195 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [0,0,0,1,0,0|2,0,0]=3 196 B9R1.35 O=C1CCC(S1)C(=O)O Z1205655674 [0,0,0,1,0,0|2,1,0]=4 197 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [0,0,0,1,0,0|3,0,0]=4 198 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [0,0,0,1,0,0|3,0,0]=4 199 B9R1.35 O=C1NCC(O1)C(=O)O Z1203735066 [0,0,0,1,0,0|3,0,0]=4 200 B9R1.35 O=C1OCC(O1)C(=O)O Z1889707900 [0,0,0,1,0,0|3,0,0]=4 201 B9R1.40 C[C@]1(CNCC[C@@H]1O)O Z3333750066 [0,0,0,1,0,0|2,0,1]=4 202 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O Z2310055381 [0,0,0,1,0,0|2,0,0]=3 203 B9R1.59 CCOC1CC1C(=O)O Z432051730 [0,0,0,1,0,0|3,0,0]=4 204 B9R1.69 CC1CCC(C(=O)C1)C Z1238548176 [0,0,0,1,0,0|3,0,0]=4 205 B9R1.69 CC1CCC(C(=O)N1)C Z1203817414 [0,0,0,1,0,0|3,0,0]=4 206 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O Z2681202678 [0,0,0,1,0,0|2,0,0]=3 207 B9R1.95 N#C[C@H]1C[C@@H](C1)C(=O)O Z4320204664 [0,0,0,1,0,0|3,0,0]=4 208 B9R1.95 NCC1CC(C1)C(=O)O Z3247510672 [0,0,0,1,0,0|3,0,0]=4 209 B9R1.110 CC(C(=O)O)C1CCC1 Z1198237996 [0,0,0,1,0,0|2,0,0]=3 210 B9R1.110 CC(C(=O)O)C1CNC1 Z1741794178 [0,0,0,1,0,0|2,0,0]=3 211 B9R1.110 CC(C(=O)O)N1CCC1 Z2310732393 [0,0,0,1,0,0|3,0,0]=4 212 B9R1.110 NC(C(=O)O)C1CCC1 Z1309515310 [0,0,0,1,0,0|2,0,0]=3 213 B9R1.110 O=C(O)C(O)C1CCC1 Z1205496047 [0,0,0,1,0,0|1,0,0]=2 214 B9R1.112 NC(CC1CC1)C(=O)O Z431958560 [0,0,0,1,0,0|2,0,0]=3 215 B9R1.112 O=C(O)C(F)CC1CC1 Z1443587524 [0,0,0,1,0,0|2,0,0]=3 216 B9R1.163 CC(=O)C1(CCCC1)N Z2736561944 [0,0,0,1,0,0|3,0,0]=4 217 B9R1.163 CC1(CCCC1)C(=O)O Z199537270 [0,0,0,1,0,0|2,0,0]=3 218 B9R1.163 CC1(CCCN1)C(=O)O Z1483991628 [0,0,0,1,0,0|3,0,0]=4 219 B9R1.163 CC1(CCCO1)C(=O)O Z1198171568 [0,0,0,1,0,0|3,0,0]=4 220 B9R1.163 CC1(CCCS1)C(=O)O Z1268152237 [0,0,0,1,0,0|3,0,0]=4 221 B9R1.163 CC1(CCNC1)C(=O)N Z1095299604 [0,0,0,1,0,0|3,0,0]=4 222 B9R1.163 CC1(CCNC1)C(=O)O Z1407007571 [0,0,0,1,0,0|2,0,0]=3 223 B9R1.163 CC1(CCOC1)C(=O)O Z995182654 [0,0,0,1,0,0|1,1,0]=3 224 B9R1.163 NC(=O)C1(CCCC1)N Z1267881706 [0,0,0,1,0,0|3,0,0]=4 225 B9R1.163 NC(=O)C1(CCCC1)O Z965048590 [0,0,0,1,0,0|2,0,0]=3 226 B9R1.163 NC(=O)C1(CCNC1)O Z1809367630 [0,0,0,1,0,0|2,0,0]=3 227 B9R1.163 NC1(CC=CC1)C(=O)O Z3814563789 [0,0,0,1,0,0|2,0,1]=4 228 B9R1.163 NC1(CCCC1)C(=O)O Z234896477 [0,0,0,1,0,0|2,0,0]=3 229 B9R1.163 NC1(CCOC1)C(=O)O Z1124555363 [0,0,0,1,0,0|1,1,0]=3 230 B9R1.163 NC1(CCSC1)C(=O)O Z317024750 [0,0,0,1,0,0|1,0,0]=2 231 B9R1.163 O=C(O)C1(CCCC1)O Z220335554 [0,0,0,1,0,0|1,0,0]=2 232 B9R1.163 O=C(O)C1(CCOC1)F Z1893239035 [0,0,0,1,0,0|1,1,0]=3 233 B9R1.163 O=C(O)C1(CCOC1)O Z1124555786 [0,0,0,1,0,0|0,1,0]=2 234 B6R0.1 CCCC(O)CN Z419084742 [2,0,0,0,0,0|1,0,1]=4 235 B6R0.1 CNC[C@H](O)CO Z600533638 [2,0,0,0,0,0|1,0,1]=4 236 B6R0.1 CSCC(C)CO Z1270310211 [2,0,0,0,0,0|1,0,1]=4 237 B6R0.1 CSCC(O)CO Z1126770422 [2,0,0,0,0,0|0,0,1]=3 238 B6R0.4 C#CCCC(=O)O Z295890062 [2,0,0,0,0,0|0,0,2]=4 239 B6R0.4 C=CCCC(=O)O Z995028722 [2,0,0,0,0,0|0,0,2]=4 240 B6R0.4 CC/C=C/C(=O)O Z2311573931 [2,0,0,0,0,0|0,0,2]=4 241 B6R0.4 CCC#CC(=O)O Z1205493735 [2,0,0,0,0,0|0,0,2]=4 242 B6R0.4 CCCCB(O)O Z1147227739 [2,0,0,0,0,0|1,0,1]=4 243 B6R0.4 CCCCC(=N)N Z1723418909 [2,0,0,0,0,0|2,0,0]=4 244 B6R0.4 CCCCC(=O)N Z104476278 [2,0,0,0,0,0|1,0,0]=3 245 B6R0.4 CCCCC(=O)O Z104473312 [2,0,0,0,0,0|0,0,0]=2 246 B6R0.4 CCCNC(=O)C Z33030314 [2,0,0,0,0,0|2,0,0]=4 247 B6R0.4 CCCOC(=O)N Z1198148877 [2,0,0,0,0,0|2,0,0]=4 248 B6R0.4 CCNCC(=O)N Z1459435506 [2,0,0,0,0,0|2,0,0]=4 249 B6R0.4 CCNCC(=O)O Z744593094 [2,0,0,0,0,0|1,0,0]=3 250 B6R0.4 CCOCC(=O)O Z104495232 [2,0,0,0,0,0|1,0,0]=3 251 B6R0.4 CNCCC(=O)C Z1536943318 [2,0,0,0,0,0|2,0,0]=4 252 B6R0.4 CNCCC(C)O Z1203731868 [2,0,0,0,0,0|1,0,1]=4 253 B6R0.4 COCCC(=O)C Z362119682 [2,0,0,0,0,0|1,1,0]=4 254 B6R0.4 COCCC(=O)N Z394696458 [2,0,0,0,0,0|1,1,0]=4 255 B6R0.4 COCCC(=O)O Z285184634 [2,0,0,0,0,0|0,1,0]=3 256 B6R0.4 COCCC(C)O Z818738042 [2,0,0,0,0,0|0,1,1]=4 257 B6R0.4 CS/C=C/C(=O)O Z1868430572 [2,0,0,0,0,0|0,0,2]=4 258 B6R0.4 CSCCC(=N)N Z1266823407 [2,0,0,0,0,0|2,0,0]=4 259 B6R0.4 CSCCC(=O)O Z54719251 [2,0,0,0,0,0|0,0,0]=2 260 B6R0.4 NC(=O)CCCO Z1203578394 [2,0,0,0,0,0|1,1,0]=4 261 B6R0.4 NCCCC(=O)N Z398513418 [2,0,0,0,0,0|2,0,0]=4 262 B6R0.4 NCCCC(=O)O Z104475620 [2,0,0,0,0,0|1,0,0]=3 263 B6R0.4 NCCCS(=O)O Z1203579399 [2,0,0,0,0,0|2,0,0]=4 264 B6R0.4 O=C(O)CCCS Z147642510 [2,0,0,0,0,0|0,0,0]=2 265 B6R0.6 CCCCCCO Z104473568 [2,0,0,0,0,0|1,0,1]=4 266 B6R0.6 CNCCCCO Z839096662 [2,0,0,0,0,0|1,0,1]=4 267 B6R0.6 CNCCCSC Z102766932 [2,0,0,0,0,0|2,0,0]=4 268 B6R0.6 COCCCCO Z431605254 [2,0,0,0,0,0|0,1,1]=4 269 B6R0.6 O=CCCCC=O Z57127529 [2,0,0,0,0,0|2,0,0]=4 270 B6R0.3 CC(CN)C(=O)O Z431542704 [2,0,0,0,0,0|2,0,0]=4 271 B6R0.3 CC(CO)C(=O)O Z431541400 [2,0,0,0,0,0|1,1,0]=4 272 B6R0.3 CCC(C)C(=O)N Z270978420 [2,0,0,0,0,0|2,0,0]=4 273 B6R0.3 CCC(C)C(=O)O Z237374874 [2,0,0,0,0,0|1,0,0]=3 274 B6R0.3 CCC(N)C(=O)O Z104495144 [2,0,0,0,0,0|1,0,0]=3 275 B6R0.3 CCC(O)C(=O)N Z965049008 [2,0,0,0,0,0|1,0,0]=3 276 B6R0.3 CCC(O)C(=O)O Z246073650 [2,0,0,0,0,0|0,0,0]=2 277 B6R0.3 CCC(O)C(C)O Z1251352132 [2,0,0,0,0,0|1,0,1]=4 278 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [2,0,0,0,0,0|1,0,0]=3 279 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [2,0,0,0,0,0|1,0,0]=3 280 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [2,0,0,0,0,0|1,0,0]=3 281 B6R0.3 CNC(C)C(=O)O Z1278590830 [2,0,0,0,0,0|2,0,0]=4 282 B6R0.3 COC(C)C(=O)O Z316258898 [2,0,0,0,0,0|1,1,0]=4 283 B6R0.3 CSC(C)C(=O)O Z149191750 [2,0,0,0,0,0|1,0,0]=3 284 B6R0.3 NC(CO)C(=O)O Z57396986 [2,0,0,0,0,0|1,1,0]=4 285 B6R0.3 NC(CS)C(=O)O Z966690626 [2,0,0,0,0,0|1,0,0]=3 286 B6R0.3 NCC(N)C(=O)O Z2465863279 [2,0,0,0,0,0|2,0,0]=4 287 B6R0.3 NCC(O)C(=O)N Z1889902538 [2,0,0,0,0,0|2,0,0]=4 288 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [2,0,0,0,0,0|2,0,0]=4 289 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [2,0,0,0,0,0|1,1,0]=4 290 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [2,0,0,0,0,0|1,0,0]=3 291 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [2,0,0,0,0,0|1,1,0]=4 292 B8R0.9 CC(C)CCC(O)CO Z1617994519 [1,1,0,0,0,0|1,0,1]=4 293 B8R0.11 COC(CN)CCSC Z4918222120 [1,1,0,0,0,0|1,0,1]=4 294 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [1,1,0,0,0,0|2,0,0]=4 295 B8R0.5 CCCC(C)CC(=O)O Z352782810 [1,1,0,0,0,0|1,0,0]=3 296 B8R0.5 CCCC(O)CC(=O)O Z982132146 [1,1,0,0,0,0|1,0,0]=3 297 B8R0.5 CCCN(C)CC(=O)O Z1259273358 [1,1,0,0,0,0|2,0,0]=4 298 B8R0.5 CCNC(C)CC(=O)O Z1259161935 [1,1,0,0,0,0|2,0,0]=4 299 B8R0.5 COCC(C)CC(=O)O Z992443864 [1,1,0,0,0,0|0,1,0]=3 300 B8R0.7 C#CCCNCC(=O)O Z4916843541 [1,1,0,0,0,0|1,0,1]=4 301 B8R0.7 C#CCCOCC(=O)O Z1205655947 [1,1,0,0,0,0|1,0,1]=4 302 B8R0.7 C#CCOCCC(=O)O Z362807240 [1,1,0,0,0,0|1,0,1]=4 303 B8R0.7 C=CCCOCC(=O)O Z362807886 [1,1,0,0,0,0|1,0,1]=4 304 B8R0.7 C=CCNCCC(=O)O Z3388124649 [1,1,0,0,0,0|1,0,1]=4 305 B8R0.7 CC#CCCCC(=O)O Z1205494323 [1,1,0,0,0,0|1,0,0]=3 306 B8R0.7 CC#CCNCC(=O)O Z4923954034 [1,1,0,0,0,0|1,0,1]=4 307 B8R0.7 CCCCCCC(=O)O Z104474412 [1,1,0,0,0,0|1,0,0]=3 308 B8R0.7 CCCCNCC(=O)N Z398513412 [1,1,0,0,0,0|2,0,0]=4 309 B8R0.7 CCCCOCC(=O)O Z409190912 [1,1,0,0,0,0|1,0,0]=3 310 B8R0.7 CCCCSCC(=O)O Z239951532 [1,1,0,0,0,0|1,0,0]=3 311 B8R0.7 CCCNCCC(=O)O Z2944330072 [1,1,0,0,0,0|1,0,0]=3 312 B8R0.7 CCNCCCC(=O)O Z2937339976 [1,1,0,0,0,0|1,0,0]=3 313 B8R0.7 CCOCCCC(=O)O Z316258950 [1,1,0,0,0,0|0,1,0]=3 314 B8R0.7 CCSCCCC(=N)N Z1861964086 [1,1,0,0,0,0|2,0,0]=4 315 B8R0.7 CNCCCCC(=O)O Z3034937142 [1,1,0,0,0,0|1,0,0]=3 316 B8R0.7 CNCCCNC(=O)C Z1269638441 [1,1,0,0,0,0|2,0,0]=4 317 B8R0.7 COCCCCC(=O)O Z362633826 [1,1,0,0,0,0|0,1,0]=3 318 B8R0.7 COCCCNC(=O)N Z56979275 [1,1,0,0,0,0|1,1,0]=4 319 B8R0.7 COCCCOC(=O)C Z1123440688 [1,1,0,0,0,0|1,1,0]=4 320 B8R0.7 COCCNCC(=O)N Z1262250392 [1,1,0,0,0,0|1,1,0]=4 321 B8R0.7 COCCNCC(=O)O Z1276446903 [1,1,0,0,0,0|0,1,0]=3 322 B8R0.7 COCCOCC(=O)C Z447894346 [1,1,0,0,0,0|1,1,0]=4 323 B8R0.7 COCCOCC(=O)O Z104477918 [1,1,0,0,0,0|0,1,0]=3 324 B8R0.7 COCCSCC(=O)O Z167837764 [1,1,0,0,0,0|0,1,0]=3 325 B8R0.7 CSCCCCC(=O)O Z732206636 [1,1,0,0,0,0|0,0,0]=2 326 B8R0.7 CSCCNCC(=O)O Z2512524162 [1,1,0,0,0,0|0,0,0]=2 327 B8R0.7 N#CCCSCC(=O)O Z1205494587 [1,1,0,0,0,0|2,0,0]=4 328 B8R0.7 NCCCCCC(=O)O Z1272730910 [1,1,0,0,0,0|1,0,0]=3 329 B8R0.7 NCCCOCC(=O)O Z3178895188 [1,1,0,0,0,0|2,0,0]=4 330 B8R0.7 NCCOCCC(=O)O Z1262546494 [1,1,0,0,0,0|2,0,0]=4 331 B8R0.7 O=C(O)CCCCCBr Z104477716 [1,1,0,0,0,0|1,0,0]=3 332 B8R0.7 O=C(O)CCCCCF Z1205494157 [1,1,0,0,0,0|1,0,0]=3 333 B8R0.7 O=C(O)CCNCCO Z53116574 [1,1,0,0,0,0|2,0,0]=4 334 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [1,1,0,0,0,0|1,0,1]=4 335 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [1,1,0,0,0,0|1,0,0]=3 336 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [1,1,0,0,0,0|2,0,0]=4 337 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [1,1,0,0,0,0|2,0,0]=4 338 B8R0.28 CC(C)CCCC(=O)O Z426022098 [1,1,0,0,0,0|1,0,0]=3 339 B8R0.28 CC(C)CNCC(=O)O Z1259273209 [1,1,0,0,0,0|2,0,0]=4 340 B8R0.28 CC(C)CSCC(=O)O Z96112845 [1,1,0,0,0,0|2,0,0]=4 341 B8R0.28 CC(C)NCCC(=O)O Z235348215 [1,1,0,0,0,0|2,0,0]=4 342 B8R0.28 CC(C)OCCC(=O)O Z316259248 [1,1,0,0,0,0|2,0,0]=4 343 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [1,1,0,0,0,0|1,0,0]=3 344 B8R0.28 CC(N)COCC(=O)O Z3789755599 [1,1,0,0,0,0|2,0,0]=4 345 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [1,1,0,0,0,0|1,0,1]=4 346 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [1,1,0,0,0,0|2,0,0]=4 347 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [1,1,0,0,0,0|2,0,0]=4 348 B8R0.2 CC(CN)C(F)C(=O)O Z3556611783 [1,1,0,0,0,0|2,0,0]=4 349 B8R0.2 CCC(C)C(=O)C(=O)O Z1205493610 [1,1,0,0,0,0|0,0,2]=4 350 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [1,1,0,0,0,0|1,0,0]=3 351 B8R0.2 CCC(C)C(N)C(=O)N Z56979347 [1,1,0,0,0,0|2,0,0]=4 352 B8R0.2 CCC(C)C(N)C(=O)O Z104473608 [1,1,0,0,0,0|1,0,0]=3 353 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Z1203578023 [1,1,0,0,0,0|1,0,0]=3 354 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Z1203578040 [1,1,0,0,0,0|1,0,0]=3 355 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Z1205494177 [1,1,0,0,0,0|1,0,0]=3 356 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Z1201618644 [1,1,0,0,0,0|1,0,0]=3 357 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Z756427442 [1,1,0,0,0,0|1,0,0]=3 358 B8R0.2 COC(C)C(O)C(=O)O Z1509040637 [1,1,0,0,0,0|0,1,0]=3 359 B8R0.2 CSC(C)C(N)C(=O)O Z4511736963 [1,1,0,0,0,0|1,0,0]=3 360 B8R0.2 CSC(C)C(O)C(=O)O Z2787457174 [1,1,0,0,0,0|0,0,0]=2 361 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Z3270796459 [1,1,0,0,0,0|1,0,0]=3 362 B8R0.12 CC(C)(CCN)C(=O)O Z1198151185 [1,1,0,0,0,0|2,0,0]=4 363 B8R0.12 CC(N)(CCF)C(=O)O Z2509305784 [1,1,0,0,0,0|2,0,0]=4 364 B8R0.12 CCCC(C)(C)C(=O)N Z1198157529 [1,1,0,0,0,0|2,0,0]=4 365 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [1,1,0,0,0,0|1,0,0]=3 366 B8R0.12 CCCC(C)(O)C(=O)O Z788000960 [1,1,0,0,0,0|0,0,0]=2 367 B8R0.12 CCNC(C)(C)C(=O)O Z1259161934 [1,1,0,0,0,0|2,0,0]=4 368 B8R0.12 COCC(C)(C)C(=O)O Z1198275672 [1,1,0,0,0,0|1,1,0]=4 369 B8R0.12 COCC(C)(N)C(=O)O Z1346385711 [1,1,0,0,0,0|1,1,0]=4 370 B8R0.12 COCC(C)(O)C(=O)O Z992448466 [1,1,0,0,0,0|0,1,0]=3 371 B8R0.12 CSCC(C)(C)C(=O)O Z1205494330 [1,1,0,0,0,0|1,0,0]=3 372 B8R0.12 NCCC(F)(F)C(=O)O Z2310718931 [1,1,0,0,0,0|2,0,0]=4 373 B8R0.15 CCCC(CC)C(=O)O Z756391368 [1,1,0,0,0,0|1,0,0]=3 374 B8R0.15 CCCC(CN)C(=O)O Z970060188 [1,1,0,0,0,0|1,0,0]=3 375 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [1,1,0,0,0,0|0,0,0]=2 376 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [1,1,0,0,0,0|2,0,0]=4 377 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [1,1,0,0,0,0|1,0,0]=3 378 B8R0.15 CCOC(CC)C(=O)O Z449367060 [1,1,0,0,0,0|2,0,0]=4 379 B8R0.15 CNC(COC)C(=O)O Z1250132318 [1,1,0,0,0,0|1,1,0]=4 380 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [1,1,0,0,0,0|1,0,1]=4 381 B8R0.23 CC(C)CC(=O)C(=O)O Z975823226 [1,1,0,0,0,0|0,0,2]=4 382 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [1,1,0,0,0,0|1,0,0]=3 383 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [1,1,0,0,0,0|1,0,0]=3 384 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [1,1,0,0,0,0|1,0,0]=3 385 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [1,1,0,0,0,0|1,0,0]=3 386 B8R0.23 CC(C)NC(C)C(=O)O Z449368966 [1,1,0,0,0,0|2,0,0]=4 387 B8R0.23 CC(C)SC(C)C(=O)O Z214845364 [1,1,0,0,0,0|2,0,0]=4 388 B8R0.23 CC(CC(F)F)C(=O)O Z1198342616 [1,1,0,0,0,0|2,0,0]=4 389 B8R0.23 CC(CN(C)C)C(=O)O Z2106602539 [1,1,0,0,0,0|2,0,0]=4 390 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [1,1,0,0,0,0|1,0,1]=4 391 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [1,1,0,0,0,0|1,0,0]=3 392 B8R0.23 CN(C)CC(O)C(=O)O Z1205494800 [1,1,0,0,0,0|1,0,0]=3 393 B8R0.23 NC(CC(F)F)C(=O)O Z1250080925 [1,1,0,0,0,0|2,0,0]=4 394 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [1,1,0,0,0,0|0,1,1]=4 395 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [1,1,0,0,0,0|0,1,1]=4 396 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [1,1,0,0,0,0|0,1,1]=4 397 B10R0.6 CCCCCC(C)CC(=O)O Z1198151370 [0,1,0,0,0,1|2,0,0]=4 398 B10R0.6 CCCCCC(O)CC(=O)O Z982131990 [0,1,0,0,0,1|1,0,0]=3 399 B10R0.81 CCCCC(N)C(O)C(=O)O Z1238572379 [0,1,0,0,0,1|2,0,0]=4 400 B10R0.87 CCCCC(CC)CC(=O)O Z839109290 [0,1,0,0,0,1|2,0,0]=4 401 B10R0.43 CC(=O)CCC(C)(C)C(=O)O Z1255406328 [0,2,0,0,0,0|2,0,0]=4 402 B10R0.43 CC(C)CCC(C)(N)C(=O)O Z398557150 [0,2,0,0,0,0|2,0,0]=4 403 B10R0.82 CCC(N)COC(C)C(=O)O Z5122110101 [0,2,0,0,0,0|2,0,0]=4 404 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O Z1198152810 [0,2,0,0,0,0|1,1,0]=4 405 B10R0.82 COC(=O)CC[C@H](N)C(=O)O Z1741982704 [0,2,0,0,0,0|1,1,0]=4 406 B10R0.92 CC(C)(C)CCC(N)C(=O)O Z819991814 [0,2,0,0,0,0|2,0,0]=4 407 B10R0.92 CC(CCC(C)(C)C)C(=O)O Z819995662 [0,2,0,0,0,0|2,0,0]=4 408 B10R0.92 CP(=O)(O)CCC(N)C(=O)O Z2737639744 [0,2,0,0,0,0|2,0,0]=4 409 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O Z5517615815 [0,2,0,0,0,0|1,0,1]=4 410 B10R0.19 CCOC(=O)C(N)CCOC Z3048294005 [0,2,0,0,0,0|1,1,0]=4 411 B10R0.19 CCOC(=O)C(O)CCSC Z965048236 [0,2,0,0,0,0|0,0,0]=2 412 B10R0.83 CCCCCC(N)C(=O)OC Z1398461596 [0,2,0,0,0,0|2,0,0]=4 413 B10R0.83 CCCCCC(O)C(=O)OC Z965047444 [0,2,0,0,0,0|1,0,0]=3 414 B10R0.83 COC(=O)N(C)CCCSC Z1988240513 [0,2,0,0,0,0|2,0,0]=4 415 B10R0.85 CNC(CCSC)C(=O)OC Z3899878399 [0,2,0,0,0,0|1,0,0]=3 416 B10R0.17 CSCCC(C(=O)O)N(C)C Z565906654 [0,2,0,0,0,0|1,0,0]=3 417 B10R0.17 NCCCC(C(=O)O)C(=O)O Z3379289602 [0,2,0,0,0,0|2,0,0]=4 418 B10R0.86 CCCCCC(CC)C(=O)O Z756391304 [0,2,0,0,0,0|2,0,0]=4 419 B10R0.26 CCCC(C)CC(N)C(=O)O Z970064328 [0,2,0,0,0,0|2,0,0]=4 420 B10R0.42 CCCCCC(C)(C)C(=O)O Z995179614 [0,2,0,0,0,0|2,0,0]=4 421 B10R0.75 CCCCCCC(C)C(=O)O Z756390482 [0,2,0,0,0,0|2,0,0]=4 422 B10R0.75 CCOCCOC(C)C(=O)O Z316258976 [0,2,0,0,0,0|1,1,0]=4 423 B10R0.75 NCCCSCC(N)C(=O)O Z2065464260 [0,2,0,0,0,0|2,0,0]=4 424 B10R0.75 N[C@@H](CSSCCO)C(=O)O Z1198169002 [0,2,0,0,0,0|2,0,0]=4 425 B10R0.98 CC(C)CCCC(N)C(=O)O Z2855996233 [0,2,0,0,0,0|2,0,0]=4 426 B10R0.98 CC(C)CCOC(C)C(=O)O Z316259086 [0,2,0,0,0,0|2,0,0]=4 427 B10R0.98 CC(N)CCCC(C)C(=O)O Z1258848487 [0,2,0,0,0,0|2,0,0]=4 428 B10R0.98 CC(OCCN(C)C)C(=O)O Z3400079248 [0,2,0,0,0,0|2,0,0]=4 429 B8R1.1 CC1CCC(C1)C=O Z1268606446 [1,0,0,1,0,0|2,0,0]=4 430 B8R1.2 O=CC1CCC=CO1 Z600389890 [1,0,0,1,0,0|1,0,1]=4 431 B8R1.2 O=CC1CCCCC1 Z104478974 [1,0,0,1,0,0|2,0,0]=4 432 B8R1.2 O=CC1CCCCO1 Z1079442734 [1,0,0,1,0,0|1,0,0]=3 433 B8R1.2 O=CC1CCOCC1 Z979759508 [1,0,0,1,0,0|1,1,0]=4 434 B8R1.2 O=CC1CCSCC1 Z1201622265 [1,0,0,1,0,0|1,0,0]=3 435 B8R1.2 OCC1CCCCO1 Z104479808 [1,0,0,1,0,0|1,0,1]=4 436 B8R1.2 OCC1CCSCC1 Z1198266791 [1,0,0,1,0,0|1,0,1]=4 437 B8R1.3 CC1CCC(CO1)O Z1898581838 [1,0,0,1,0,0|1,0,1]=4 438 B8R1.5 CC1CCCCC1=O Z104477192 [1,0,0,1,0,0|2,0,0]=4 439 B8R1.5 NC1CCCCC1=O Z2186882796 [1,0,0,1,0,0|2,0,0]=4 440 B8R1.5 O=C1CCCCC1Cl Z94598693 [1,0,0,1,0,0|2,0,0]=4 441 B8R1.5 OC1CCCCC1O Z600453486 [1,0,0,1,0,0|1,0,1]=4 442 B8R1.5 O[C@@H]1CCCC[C@H]1O Z2240998867 [1,0,0,1,0,0|1,0,1]=4 443 B8R1.38 CC(C=O)C1CCC1 Z1511780485 [1,0,0,1,0,0|2,0,0]=4 444 B8R1.47 CCC1CC(C1)C=O Z3243131887 [1,0,0,1,0,0|2,0,0]=4 445 B8R1.47 COC1CC(C1)C=O Z1880960307 [1,0,0,1,0,0|1,1,0]=4 446 B8R1.52 CC1(CCCC1)C=O Z1255466724 [1,0,0,1,0,0|2,0,0]=4 447 B8R1.52 CC1(CCOC1)C=O Z1511835334 [1,0,0,1,0,0|1,1,0]=4 448 B8R1.52 NCC1(CCSC1)O Z1333761731 [1,0,0,1,0,0|1,0,1]=4 449 B8R1.52 O=CC1(CCCC1)Br Z1511865834 [1,0,0,1,0,0|2,0,0]=4 450 B8R1.52 OCC1(CCCC1)O Z1258947137 [1,0,0,1,0,0|1,0,1]=4 451 B8R1.52 OCC1(CCOC1)O Z1537124515 [1,0,0,1,0,0|0,1,1]=4 452 B8R1.4 CC1=CC(=O)CCC1 Z1042078386 [1,0,0,1,0,0|2,0,0]=4 453 B8R1.4 CC1CCCC(=O)C1 Z56899044 [1,0,0,1,0,0|2,0,0]=4 454 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [1,0,0,1,0,0|2,0,0]=4 455 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [1,0,0,1,0,0|2,0,0]=4 456 B8R1.6 CCCC1CC(=O)N1 Z1198168176 [1,0,0,1,0,0|2,0,0]=4 457 B8R1.7 CC(=O)C1CCCC1 Z513735352 [1,0,0,1,0,0|2,0,0]=4 458 B8R1.7 CC(=O)C1CCNC1 Z3011567326 [1,0,0,1,0,0|2,0,0]=4 459 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [1,0,0,1,0,0|1,1,0]=4 460 B8R1.7 NC(=O)C1CCCC1 Z33546657 [1,0,0,1,0,0|2,0,0]=4 461 B8R1.7 NC(=O)C1CCNC1 Z1198394223 [1,0,0,1,0,0|2,0,0]=4 462 B8R1.7 NC(=O)C1CCOC1 Z802555342 [1,0,0,1,0,0|1,1,0]=4 463 B8R1.7 NC(=O)C1CSCN1 Z316101160 [1,0,0,1,0,0|2,0,0]=4 464 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [1,0,0,1,0,0|1,0,1]=4 465 B8R1.7 O=C(O)C1CCCC1 Z104476116 [1,0,0,1,0,0|1,0,0]=3 466 B8R1.7 O=C(O)C1CCCN1 Z104476886 [1,0,0,1,0,0|2,0,0]=4 467 B8R1.7 O=C(O)C1CCCO1 Z104486102 [1,0,0,1,0,0|2,0,0]=4 468 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [1,0,0,1,0,0|2,0,0]=4 469 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [1,0,0,1,0,0|1,0,0]=3 470 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [1,0,0,1,0,0|2,0,0]=4 471 B8R1.7 O=C(O)C1CCOC1 Z381356480 [1,0,0,1,0,0|0,1,0]=3 472 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [1,0,0,1,0,0|0,0,0]=2 473 B8R1.7 O=C(O)C1CSCN1 Z104495996 [1,0,0,1,0,0|1,0,0]=3 474 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [1,0,0,1,0,0|2,0,0]=4 475 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [1,0,0,1,0,0|1,0,0]=3 476 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [1,0,0,1,0,0|2,0,0]=4 477 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [1,0,0,1,0,0|1,0,0]=3 478 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [1,0,0,1,0,0|2,0,0]=4 479 B8R1.31 O=C(O)C1CCC1F Z2035936452 [1,0,0,1,0,0|2,0,0]=4 480 B8R1.34 CC(=O)CC1CCC1 Z1263592386 [1,0,0,1,0,0|2,0,0]=4 481 B8R1.34 NC(=O)CC1CNC1 Z1459435453 [1,0,0,1,0,0|2,0,0]=4 482 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [1,0,0,1,0,0|1,0,0]=3 483 B8R1.34 O=C(O)CN1CCC1 Z1255373566 [1,0,0,1,0,0|2,0,0]=4 484 B8R1.35 CC(=O)CCC1CC1 Z1233207768 [1,0,0,1,0,0|2,0,0]=4 485 B8R1.35 O=C(O)CNC1CC1 Z432066928 [1,0,0,1,0,0|2,0,0]=4 486 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [1,0,0,1,0,0|1,0,0]=3 487 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O Z2310010920 [1,0,0,1,0,0|2,0,0]=4 488 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O Z2310010923 [1,0,0,1,0,0|2,0,0]=4 489 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Z3718352401 [1,0,0,1,0,0|2,0,0]=4 490 B8R1.43 O=C[C@@H]1C[C@H]1C(=O)O Z3664810585 [1,0,0,1,0,0|2,0,0]=4 491 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Z2944291920 [1,0,0,1,0,0|2,0,0]=4 492 B8R1.18 CC1CC(C(=O)N1)C Z1203733105 [1,0,0,1,0,0|2,0,0]=4 493 B8R1.18 CC1CC(C(=O)O1)N Z118507726 [1,0,0,1,0,0|1,0,0]=3 494 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [1,0,0,1,0,0|1,0,0]=3 495 B8R1.23 CN1CC(C1)C(=O)O Z1198330195 [1,0,0,1,0,0|2,0,0]=4 496 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O Z360056576 [1,0,0,1,0,0|2,0,0]=4 497 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [1,0,0,1,0,0|1,0,0]=3 498 B8R1.54 CC(C(=O)O)C1CC1 Z792377292 [1,0,0,1,0,0|1,0,0]=3 499 B8R1.54 NC(=O)C(N)C1CC1 Z3183923231 [1,0,0,1,0,0|2,0,0]=4 500 B8R1.54 NC(=O)C(O)C1CC1 Z965049350 [1,0,0,1,0,0|1,0,0]=3 501 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [1,0,0,1,0,0|1,0,0]=3 502 B8R1.54 O=C(O)C(O)C1CC1 Z802856440 [1,0,0,1,0,0|0,0,0]=2 503 B8R1.78 CC1(CCC1)C(=O)O Z1205493900 [1,0,0,1,0,0|1,0,0]=3 504 B8R1.78 CC1(CNC1)C(=O)O Z3071128920 [1,0,0,1,0,0|2,0,0]=4 505 B8R1.78 CC1(COC1)C(=O)O Z1198234535 [1,0,0,1,0,0|1,1,0]=4 506 B8R1.78 NC(=O)C1(CCC1)N Z1483991927 [1,0,0,1,0,0|2,0,0]=4 507 B8R1.78 NC(=O)C1(CNC1)O Z2680628867 [1,0,0,1,0,0|2,0,0]=4 508 B8R1.78 NC1(CCC1)C(=O)O Z1431905448 [1,0,0,1,0,0|1,0,0]=3 509 B8R1.78 NC1(CNC1)C(=O)O Z2867454580 [1,0,0,1,0,0|2,0,0]=4 510 B8R1.78 O=C(O)C1(CCC1)Br Z220564362 [1,0,0,1,0,0|1,0,0]=3 511 B8R1.78 O=C(O)C1(CCC1)O Z220564366 [1,0,0,1,0,0|0,0,0]=2 512 B8R1.78 O=C(O)C1(CNC1)O Z2630949328 [1,0,0,1,0,0|1,0,0]=3 513 B10R1.18 O=C(O)C=C1CCSCC1 Z1262528560 [0,0,0,1,0,1|1,0,1]=4 514 B10R1.18 O=C(O)CC1CCCCC1 Z104486044 [0,0,0,1,0,1|2,0,0]=4 515 B10R1.18 O=C(O)CC1CCCCN1 Z3234954063 [0,0,0,1,0,1|2,0,0]=4 516 B10R1.18 O=C(O)CC1CCCCO1 Z432421618 [0,0,0,1,0,1|1,0,0]=3 517 B10R1.18 O=C(O)CC1CCOCC1 Z440605396 [0,0,0,1,0,1|1,1,0]=4 518 B10R1.18 O=C(O)CC1CCSCC1 Z826531570 [0,0,0,1,0,1|1,0,0]=3 519 B10R1.18 O=C(O)CC1CNCCO1 Z3241262582 [0,0,0,1,0,1|2,0,0]=4 520 B10R1.18 O=C(O)CC1OCCCO1 Z1205495524 [0,0,0,1,0,1|2,0,0]=4 521 B10R1.54 CC1CCC(C1)CC(=O)O Z1205494179 [0,0,0,1,0,1|2,0,0]=4 522 B10R1.54 CC1CCC(O1)CC(=O)O Z1205494903 [0,0,0,1,0,1|1,0,0]=3 523 B10R1.54 CN1CCC(C1)CC(=O)O Z2492774445 [0,0,0,1,0,1|2,0,0]=4 524 B10R1.61 C[C@@H]1CCNC[C@@H]1C(=O)O Z3247787190 [0,0,0,1,0,1|2,0,0]=4 525 B10R1.61 NC1CCCCC1C(=O)O Z1374884261 [0,0,0,1,0,1|2,0,0]=4 526 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O Z2306832317 [0,0,0,1,0,1|2,0,0]=4 527 B10R1.61 O=C(O)C1CCCCC1O Z1080722428 [0,0,0,1,0,1|1,0,0]=3 528 B10R1.61 O=C(O)[C@@H]1CCCC[C@H]1O Z3326512742 [0,0,0,1,0,1|1,0,0]=3 529 B10R1.168 CCC1CC(C1)CC(=O)O Z1205498075 [0,0,0,1,0,1|2,0,0]=4 530 B10R1.370 CC1(CCCC1)CC(=O)O Z1205494632 [0,0,0,1,0,1|2,0,0]=4 531 B10R1.370 NC1(CCCC1)CC(=O)O Z2301438513 [0,0,0,1,0,1|2,0,0]=4 532 B10R1.370 NC1(CCSC1)CC(=O)O Z1742242134 [0,0,0,1,0,1|1,0,0]=3 533 B10R1.370 O=C(O)CC1(CCCC1)O Z982131876 [0,0,0,1,0,1|1,0,0]=3 534 B10R1.23 CC(C(=O)O)C1CCCC1 Z993955140 [0,1,0,1,0,0|2,0,0]=4 535 B10R1.23 CC(C(=O)O)N1CCCC1 Z1459956121 [0,1,0,1,0,0|2,0,0]=4 536 B10R1.23 NC(C(=O)O)C1CCCC1 Z1259162146 [0,1,0,1,0,0|2,0,0]=4 537 B10R1.23 O=C(O)C(O)C1CCCC1 Z941196766 [0,1,0,1,0,0|1,0,0]=3 538 B10R1.23 O=C(O)C(O)C1CCNC1 Z1203819582 [0,1,0,1,0,0|1,0,0]=3 539 B10R1.59 CC1CC(C(O1)C(=O)O)C Z1947908132 [0,1,0,1,0,0|1,0,0]=3 540 B10R1.278 CC(C1CC1)C(N)C(=O)O Z2010010266 [0,1,0,1,0,0|2,0,0]=4 541 B10R1.291 CC1CCCC1(C)C(=O)O Z1205495850 [0,1,0,1,0,0|2,0,0]=4 542 B10R1.291 CC1CCCC1(N)C(=O)O Z3037488514 [0,1,0,1,0,0|2,0,0]=4 543 B10R1.291 CC1OCCC1(C)C(=O)O Z1643426568 [0,1,0,1,0,0|1,1,0]=4 544 B10R1.291 C[C@@H]1CNC[C@@]1(C)C(=O)O Z3036775390 [0,1,0,1,0,0|2,0,0]=4 545 B10R1.291 O=C(O)[C@@]1(CNC[C@H]1O)O Z5064709371 [0,1,0,1,0,0|1,0,0]=3 546 B10R1.495 O=C(O)C(O)C1(CCC1)O Z1205497473 [0,1,0,1,0,0|1,0,0]=3 547 B10R1.13 C=C1CCC(CC1)C(=O)O Z1205495278 [0,1,0,1,0,0|2,0,0]=4 548 B10R1.13 CC1=CCC(CC1)C(=O)O Z1205493665 [0,1,0,1,0,0|2,0,0]=4 549 B10R1.13 CC1CCC(CN1)C(=O)O Z3211705986 [0,1,0,1,0,0|2,0,0]=4 550 B10R1.13 CC1CCC(NC1)C(=O)O Z3291973014 [0,1,0,1,0,0|2,0,0]=4 551 B10R1.13 CN1CCC(CC1)C(=O)O Z744843480 [0,1,0,1,0,0|2,0,0]=4 552 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)O Z3064248894 [0,1,0,1,0,0|2,0,0]=4 553 B10R1.13 C[C@@H]1CC[C@H](NC1)C(=O)O Z3356150537 [0,1,0,1,0,0|2,0,0]=4 554 B10R1.13 C[C@@H]1CN[C@@H](CO1)C(=O)O Z2311241423 [0,1,0,1,0,0|2,0,0]=4 555 B10R1.13 C[C@@H]1CN[C@H](CO1)C(=O)O Z2311241416 [0,1,0,1,0,0|2,0,0]=4 556 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O Z1205493659 [0,1,0,1,0,0|2,0,0]=4 557 B10R1.13 O=C(O)C1CCC(CC1)O Z336079608 [0,1,0,1,0,0|2,0,0]=4 558 B10R1.13 O=C(O)C1CCC(CN1)O Z1198181269 [0,1,0,1,0,0|2,0,0]=4 559 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)F Z3600401699 [0,1,0,1,0,0|2,0,0]=4 560 B10R1.13 O=C1CCC(CC1)C(=O)O Z235352395 [0,1,0,1,0,0|2,0,0]=4 561 B10R1.58 C[C@@H]1C[C@@H](CN1C)C(=O)O Z3678692412 [0,1,0,1,0,0|2,0,0]=4 562 B10R1.205 CC(OCC1CC1)C(=O)O Z332379292 [0,1,0,1,0,0|2,0,0]=4 563 B10R1.349 CN(C)[C@H]1C[C@@H](C1)C(=O)O Z2310671389 [0,1,0,1,0,0|2,0,0]=4 564 B10R1.349 CN(C)[C@H]1C[C@H](C1)C(=O)O Z2310722627 [0,1,0,1,0,0|2,0,0]=4 565 B10R1.359 CC1(CCC(C1)C(=O)O)C Z1205496980 [0,1,0,1,0,0|2,0,0]=4 566 B10R1.359 CC1(CCC(N1)C(=O)O)C Z1762997323 [0,1,0,1,0,0|2,0,0]=4 567 B10R1.360 CC(C)[C@@H]1C[C@]1(N)C(=O)O Z4433641075 [0,1,0,1,0,0|2,0,0]=4 568 B10R1.365 CC1(CCC1(N)C(=O)O)C Z5783123373 [0,1,0,1,0,0|2,0,0]=4 569 B10R1.368 CC(C)C[C@@H]1C[C@H]1C(=O)O Z2235790964 [0,1,0,1,0,0|2,0,0]=4 570 B10R1.368 CN(C)C[C@@H]1C[C@@H]1C(=O)O Z3681224464 [0,1,0,1,0,0|2,0,0]=4 571 B10R1.470 CC1(CCC(C1)N)C(=O)O Z3244659899 [0,1,0,1,0,0|2,0,0]=4 572 B10R1.470 CC1CCC(C1)(N)C(=O)O Z3038761031 [0,1,0,1,0,0|2,0,0]=4 573 B10R1.470 CN1CCC(C1)(C)C(=O)O Z2311218975 [0,1,0,1,0,0|2,0,0]=4 574 B10R1.470 N[C@@]1(CC[C@@H](C1)O)C(=O)O Z3069146834 [0,1,0,1,0,0|2,0,0]=4 575 B10R1.14 CC1CCC(O1)C(=O)CCl Z1438314966 [0,1,0,1,0,0|2,0,0]=4 576 B10R1.15 COC(=O)C1CCCCS1 Z1413799531 [0,1,0,1,0,0|1,1,0]=4 577 B10R1.15 COC(=O)C1CCSCC1 Z1190142949 [0,1,0,1,0,0|1,0,0]=3 578 B10R1.15 COC(=O)C1CCSCN1 Z4924246834 [0,1,0,1,0,0|1,0,0]=3 579 B10R1.15 COC(=O)C1CNCCO1 Z1359429564 [0,1,0,1,0,0|2,0,0]=4 580 B10R1.15 O=C(CCl)C1CCCCO1 Z1205660981 [0,1,0,1,0,0|2,0,0]=4 581 B10R1.19 O=C1NCCCCC1CO Z2756841892 [0,1,0,1,0,0|2,0,0]=4 582 B10R1.29 CSCCN1CCOC1=O Z1526456203 [0,1,0,1,0,0|2,0,0]=4 583 B10R1.119 CC1=C(C(=O)C(CO1)O)O Z1198158588 [0,1,0,1,0,0|2,0,0]=4 584 B10R1.411 COC(=O)C1(CCCC1)N Z235354625 [0,1,0,1,0,0|2,0,0]=4 585 B10R1.411 COC(=O)C1(CCNC1)C Z1095320068 [0,1,0,1,0,0|2,0,0]=4 586 B10R1.411 COC(=O)C1(CCNC1)F Z2082999782 [0,1,0,1,0,0|2,0,0]=4 587 B10R1.411 COC(=O)C1(CCSC1)N Z3674923303 [0,1,0,1,0,0|1,0,0]=3 588 B10R1.31 CCC1=NOC(C1)C(=O)O Z1198323130 [0,1,0,1,0,0|1,0,1]=4 589 B10R1.31 CCC1CCC(N1)C(=O)O Z2417581629 [0,1,0,1,0,0|2,0,0]=4 590 B10R1.31 CCC1CCC(O1)C(=O)O Z1389029400 [0,1,0,1,0,0|1,0,0]=3 591 B10R1.31 CCN1CCC(C1)C(=O)O Z1459883437 [0,1,0,1,0,0|2,0,0]=4 592 B10R1.31 CC[C@@H]1CN[C@@H](C1)C(=O)O Z3490158686 [0,1,0,1,0,0|2,0,0]=4 593 B10R1.31 COC1CCC(C1)C(=O)O Z1509041249 [0,1,0,1,0,0|1,1,0]=4 594 B10R1.31 CO[C@@H]1CN[C@@H](C1)C(=O)O Z1203733743 [0,1,0,1,0,0|1,1,0]=4 595 B10R1.31 CO[C@H]1CN[C@@H](C1)C(=O)O Z1203732431 [0,1,0,1,0,0|1,1,0]=4 596 B10R1.31 NCC1CCC(O1)C(=O)N Z1416203149 [0,1,0,1,0,0|2,0,0]=4 597 B10R1.31 NC[C@@H]1CC[C@@H](O1)C(=O)O Z2568677836 [0,1,0,1,0,0|1,0,0]=3 598 B10R1.194 CC1C(CCN1C)C(=O)O Z1839475263 [0,1,0,1,0,0|2,0,0]=4 599 B10R1.194 CN1CCC(C1=O)C(=O)O Z1205494535 [0,1,0,1,0,0|1,0,1]=4 600 B10R1.194 C[C@@H]1[C@@H](CCN1C)C(=O)O Z2379806278 [0,1,0,1,0,0|2,0,0]=4 601 B10R1.348 O=C(O)C1CCC=CCC1 Z447899262 [0,1,0,1,0,0|2,0,0]=4 602 B10R1.348 O=C(O)C1CCCCCN1 Z1250132361 [0,1,0,1,0,0|2,0,0]=4 603 B10R1.348 O=C(O)C1CCCCNC1 Z2310702448 [0,1,0,1,0,0|2,0,0]=4 604 B10R1.348 O=C(O)C1CCCOCC1 Z1258684735 [0,1,0,1,0,0|1,1,0]=4 605 B10R1.348 O=C(O)C1CNCCCN1 Z2044769174 [0,1,0,1,0,0|2,0,0]=4 606 B10R1.437 COCCC1(CC1)C(=O)O Z1270131162 [0,1,0,1,0,0|1,1,0]=4 607 B10R1.469 NCC(CC1CC1)C(=O)O Z2453099346 [0,1,0,1,0,0|2,0,0]=4 608 B10R1.477 CCC1(CCCC1)C(=O)O Z995181136 [0,1,0,1,0,0|2,0,0]=4 609 B10R1.477 CCC1(CCNC1)C(=O)O Z1483991480 [0,1,0,1,0,0|2,0,0]=4 610 B10R1.477 CNC1(CCCC1)C(=O)O Z446011232 [0,1,0,1,0,0|2,0,0]=4 611 B10R1.477 COC1(CCCC1)C(=O)O Z803492216 [0,1,0,1,0,0|1,0,0]=3 612 B10R1.477 COC1(CCNC1)C(=O)O Z2865944502 [0,1,0,1,0,0|1,0,0]=3 613 B10R1.477 COC1(CCSC1)C(=O)O Z803492126 [0,1,0,1,0,0|0,0,0]=2 614 B10R1.477 N#CC1(CCCC1)C(=O)O Z104346706 [0,1,0,1,0,0|2,0,0]=4 615 B10R1.477 N#CC1(CCNC1)C(=O)O Z1255404052 [0,1,0,1,0,0|2,0,0]=4 616 B10R1.477 NCC1(CCCC1)C(=O)O Z1495988402 [0,1,0,1,0,0|2,0,0]=4 617 B10R1.477 O=C(O)C1(CCNC1)CO Z3476101268 [0,1,0,1,0,0|1,0,0]=3 618 B10R1.113 CC1CC(CCO1)C(=O)O Z1192344104 [0,1,0,1,0,0|1,1,0]=4 619 B10R1.113 CC1CC(CCS1)C(=O)O Z3242951587 [0,1,0,1,0,0|1,0,0]=3 620 B10R1.113 CC1CCCC(C1)C(=O)O Z792377174 [0,1,0,1,0,0|2,0,0]=4 621 B10R1.113 CC1CCCC(O1)C(=O)O Z1205497461 [0,1,0,1,0,0|1,0,0]=3 622 B10R1.113 CC1CCNC(C1)C(=O)O Z1278581703 [0,1,0,1,0,0|2,0,0]=4 623 B10R1.113 CC1COCC(N1)C(=O)O Z1723418910 [0,1,0,1,0,0|2,0,0]=4 624 B10R1.113 CN1CCCC(C1)C(=O)O Z752370754 [0,1,0,1,0,0|2,0,0]=4 625 B10R1.113 CN1CCOC(C1)C(=O)O Z1269638422 [0,1,0,1,0,0|2,0,0]=4 626 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O Z2471603588 [0,1,0,1,0,0|2,0,0]=4 627 B10R1.113 C[C@@H]1CNCC(O1)C(=O)N Z1413022387 [0,1,0,1,0,0|2,0,0]=4 628 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O Z3021480604 [0,1,0,1,0,0|2,0,0]=4 629 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O Z2688982174 [0,1,0,1,0,0|2,0,0]=4 630 B10R1.113 NC1CCCC(C1)C(=O)O Z979485684 [0,1,0,1,0,0|2,0,0]=4 631 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O Z2309783249 [0,1,0,1,0,0|2,0,0]=4 632 B10R1.113 O=C(O)C1CCCC(C1)F Z2066862889 [0,1,0,1,0,0|2,0,0]=4 633 B10R1.113 O=C(O)C1CCCC(C1)O Z1205494896 [0,1,0,1,0,0|2,0,0]=4 634 B10R1.204 NC(CC1CCC1)C(=O)O Z2306604307 [0,1,0,1,0,0|2,0,0]=4 635 B10R1.490 COC1CC(C1)(N)C(=O)O Z3135795518 [0,1,0,1,0,0|1,1,0]=4 636 B10R1.93 CCOC1CC(C1)C(=O)O Z1813144098 [0,1,0,1,0,0|1,1,0]=4 637 B10R1.363 CC1(CC=CCC1)C(=O)O Z1198158411 [0,1,0,1,0,0|2,0,0]=4 638 B10R1.363 CC1(CC=CCO1)C(=O)O Z3072907252 [0,1,0,1,0,0|1,0,1]=4 639 B10R1.363 CC1(CCCCC1)C(=O)O Z995180964 [0,1,0,1,0,0|2,0,0]=4 640 B10R1.363 CC1(CCCCN1)C(=O)O Z1623864156 [0,1,0,1,0,0|2,0,0]=4 641 B10R1.363 CC1(CCCCO1)C(=O)O Z1198235237 [0,1,0,1,0,0|1,0,0]=3 642 B10R1.363 CC1(CCCNC1)C(=O)O Z1262691675 [0,1,0,1,0,0|2,0,0]=4 643 B10R1.363 CC1(CCCOC1)C(=O)O Z1079130408 [0,1,0,1,0,0|1,1,0]=4 644 B10R1.363 CC1(CCNCC1)C(=O)O Z1642389877 [0,1,0,1,0,0|2,0,0]=4 645 B10R1.363 CC1(CCOCC1)C(=O)O Z992920340 [0,1,0,1,0,0|1,1,0]=4 646 B10R1.363 CC1(CCSCC1)C(=O)O Z1255441874 [0,1,0,1,0,0|1,0,0]=3 647 B10R1.363 CC1(CNCCN1)C(=O)O Z5392656375 [0,1,0,1,0,0|2,0,0]=4 648 B10R1.363 NC(=O)C1(CCCCC1)O Z965048712 [0,1,0,1,0,0|2,0,0]=4 649 B10R1.363 NC(=O)C1(CCCNC1)O Z2096087370 [0,1,0,1,0,0|2,0,0]=4 650 B10R1.363 NC(=O)C1(CCNCC1)O Z2009847968 [0,1,0,1,0,0|2,0,0]=4 651 B10R1.363 NC1(CCCNC1)C(=O)O Z2509346558 [0,1,0,1,0,0|2,0,0]=4 652 B10R1.363 NC1(CCCOC1)C(=O)O Z3719007739 [0,1,0,1,0,0|1,1,0]=4 653 B10R1.363 NC1(CCCSC1)C(=O)O Z1029463938 [0,1,0,1,0,0|1,0,0]=3 654 B10R1.363 NC1(CCNCC1)C(=O)O Z1255490001 [0,1,0,1,0,0|2,0,0]=4 655 B10R1.363 NC1(CCOCC1)C(=O)O Z440604890 [0,1,0,1,0,0|1,1,0]=4 656 B10R1.363 NC1(CCSCC1)C(=O)O Z802893750 [0,1,0,1,0,0|1,0,0]=3 657 B10R1.363 O=C(O)C1(CCCCC1)O Z220542624 [0,1,0,1,0,0|1,0,0]=3 658 B10R1.363 O=C(O)C1(CCCNC1)O Z2738500676 [0,1,0,1,0,0|1,0,0]=3 659 B10R1.363 O=C(O)C1(CCCOC1)F Z3243070298 [0,1,0,1,0,0|1,1,0]=4 660 B10R1.363 O=C(O)C1(CCNCC1)F Z3234885472 [0,1,0,1,0,0|2,0,0]=4 661 B10R1.363 O=C(O)C1(CCOCC1)F Z1255373743 [0,1,0,1,0,0|1,1,0]=4 662 B10R1.363 O=C(O)C1(CCOCC1)O Z788000910 [0,1,0,1,0,0|0,1,0]=3 663 B10R1.363 O=C(O)C1(CCSCC1)O Z803080616 [0,1,0,1,0,0|0,0,0]=2 664 B10R1.354 CC(C)(C(=O)O)C1CCC1 Z1717761806 [0,1,0,1,0,0|2,0,0]=4 665 B10R1.354 CC(N)(C(=O)O)C1CCC1 Z2235409220 [0,1,0,1,0,0|2,0,0]=4 666 B10R2.61 O=C1OC2CCNC1C2 Z5219768392 [0,0,0,2,0,0|2,0,0]=4 667 B10R2.178 O=C1NC[C@@H]2CC[C@H]1O2 Z2831582980 [0,0,0,2,0,0|2,0,0]=4 668 B10R2.344 O=C(O)C12CNCC1C2 Z600584248 [0,0,0,2,0,0|2,0,0]=4 669 B10R2.344 O=C(O)[C@@]12CNC[C@@H]1C2 Z2568674577 [0,0,0,2,0,0|2,0,0]=4 670 B10R2.344 O=C(O)[C@@]12COC[C@@H]1C2 Z2432382009 [0,0,0,2,0,0|1,1,0]=4 671 B10R2.344 O=C(O)[C@]12C[C@H]1CCN2 Z414834462 [0,0,0,2,0,0|2,0,0]=4 672 B10R2.351 O=C(O)C1C2C1CCC2 Z235263813 [0,0,0,2,0,0|2,0,0]=4 673 B10R2.351 O=C(O)[C@@H]1[C@@H]2[C@H]1CNC2 Z414834466 [0,0,0,2,0,0|2,0,0]=4 674 B10R2.355 O=C(O)[C@@H]1NC[C@H]2[C@@H]1C2 Z3182359549 [0,0,0,2,0,0|2,0,0]=4 675 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 Z440824358 [0,0,0,2,0,0|2,0,0]=4 676 B10R2.638 O=C(O)C1CC12CCC2 Z1201622715 [0,0,0,2,0,0|2,0,0]=4 677 B10R0.78 CCCCC(O)CCC(=O)O Z838959646 [0,0,0,0,0,2|1,0,0]=3