0 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.8 CC#CCC(N)C(=O)O Z1691545116 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.8 CCCCC(C)C(=O)C Z727719632 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.8 CCCCC(N)C(=O)O Z57127434 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.8 CCCCC(O)C(=O)O Z803065156 [0,0,0,0,0,0|1,0,2]=3 7 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.8 CCOCC(C)C(=O)O Z431541098 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.8 CNCCN(C)C(=O)C Z1190219530 [0,0,0,0,0,0|4,0,0]=4 12 B8R0.8 COCCC(=O)C(C)C Z818737942 [0,0,0,0,0,0|2,1,1]=4 13 B8R0.8 COCCC(C)C(=O)O Z756390554 [0,0,0,0,0,0|1,1,1]=3 14 B8R0.8 COCCC(N)C(=O)O Z317025018 [0,0,0,0,0,0|1,1,1]=3 15 B8R0.8 CSCCC(=O)N(C)C Z32013664 [0,0,0,0,0,0|3,0,0]=3 16 B8R0.8 CSCCC(N)C(=O)O Z57127440 [0,0,0,0,0,0|1,0,1]=2 17 B8R0.8 CSCCC(O)C(=O)O Z788000926 [0,0,0,0,0,0|0,0,2]=2 18 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [0,0,0,0,0,0|1,0,1]=2 19 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [0,0,0,0,0,0|1,0,1]=2 20 B8R0.8 NCCCC(N)C(=O)O Z104476736 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [0,0,0,0,0,0|3,0,1]=4 22 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [0,0,0,0,0,0|3,0,1]=4 23 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [0,0,0,0,0,0|2,1,1]=4 24 B7R0.3 CCCCC(=O)CC Z406378226 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.3 CNCCC(=O)NC Z852427258 [1,0,0,0,0,0|3,0,0]=4 26 B7R0.3 CNCCC(=O)OC Z140562916 [1,0,0,0,0,0|3,0,0]=4 27 B7R0.3 NCCCC(=O)NO Z3488307998 [1,0,0,0,0,0|3,0,0]=4 28 B7R0.4 C/C=C/C=C/C(=O)O Z57127888 [1,0,0,0,0,0|1,0,2]=4 29 B7R0.4 C=CCCCC(=O)O Z1205493561 [1,0,0,0,0,0|1,0,2]=4 30 B7R0.4 CC#CCCC(=O)O Z1205493674 [1,0,0,0,0,0|1,0,2]=4 31 B7R0.4 CCC/C=C/C(=O)O Z104506794 [1,0,0,0,0,0|1,0,1]=3 32 B7R0.4 CCCCCC(=O)O Z104503532 [1,0,0,0,0,0|1,0,1]=3 33 B7R0.4 CCCCOC(=O)N Z104476286 [1,0,0,0,0,0|3,0,0]=4 34 B7R0.4 CCCNCC(=O)O Z744582718 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.4 CCCOCC(=O)O Z406677750 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.4 CCCSCC(=O)O Z228425458 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.4 CCNCCC(=O)O Z1869802098 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.4 CCOCCC(=O)O Z316258938 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.4 CCSCCC(=O)O Z197206046 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.4 CNCCCC(=O)O Z57043473 [1,0,0,0,0,0|1,0,1]=3 41 B7R0.4 CNCCNC(=O)C Z1456777974 [1,0,0,0,0,0|3,0,0]=4 42 B7R0.4 COCCCC(=O)C Z406376722 [1,0,0,0,0,0|1,1,1]=4 43 B7R0.4 COCCCC(=O)O Z316258912 [1,0,0,0,0,0|0,1,1]=3 44 B7R0.4 COCCNC(=O)N Z56904572 [1,0,0,0,0,0|2,1,0]=4 45 B7R0.4 CSCCCC(=O)O Z54602911 [1,0,0,0,0,0|0,0,1]=2 46 B7R0.4 N#CCCCC(=O)O Z1198152304 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.4 NCCCCC(=O)O Z271111992 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.4 O=C(O)CCCCBr Z104479696 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.4 O=C(O)CCCCS Z808230828 [1,0,0,0,0,0|2,0,1]=4 50 B7R0.5 C=C(C)C(=O)OCC Z852747724 [1,0,0,0,0,0|3,0,0]=4 51 B7R0.5 CC(CCN)C(=O)O Z2298167292 [1,0,0,0,0,0|2,0,1]=4 52 B7R0.5 CCCC(C)C(=O)O Z104477112 [1,0,0,0,0,0|1,0,1]=3 53 B7R0.5 CCCC(N)C(=O)O Z317024724 [1,0,0,0,0,0|1,0,1]=3 54 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [1,0,0,0,0,0|1,0,1]=3 55 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [1,0,0,0,0,0|1,0,1]=3 56 B7R0.5 CCNC(C)C(=O)O Z3181996310 [1,0,0,0,0,0|2,0,1]=4 57 B7R0.5 CCOC(=O)C(=O)C Z104472090 [1,0,0,0,0,0|2,0,0]=3 58 B7R0.5 CCOC(=O)C(=O)N Z104475764 [1,0,0,0,0,0|2,0,0]=3 59 B7R0.5 CCOC(C)C(=O)O Z316258934 [1,0,0,0,0,0|2,0,1]=4 60 B7R0.5 CNCC(C)C(=O)O Z1270387301 [1,0,0,0,0,0|2,0,1]=4 61 B7R0.5 COCC(C)C(=O)O Z431541094 [1,0,0,0,0,0|1,1,1]=4 62 B7R0.5 COCC(N)C(=O)O Z1613478163 [1,0,0,0,0,0|1,1,1]=4 63 B7R0.5 CSCC(C)C(=O)O Z732206684 [1,0,0,0,0,0|1,0,1]=3 64 B7R0.5 CSCC(N)C(=O)O Z317025996 [1,0,0,0,0,0|1,0,1]=3 65 B7R0.5 NC(CCF)C(=O)O Z2470036329 [1,0,0,0,0,0|2,0,1]=4 66 B7R0.5 NC(CCO)C(=O)O Z234896487 [1,0,0,0,0,0|1,1,1]=4 67 B7R0.5 NCCC(F)C(=O)O Z3235903750 [1,0,0,0,0,0|2,0,1]=4 68 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [1,0,0,0,0,0|2,0,1]=4 69 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [1,0,0,0,0,0|1,0,2]=4 70 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [1,0,0,0,0,0|1,1,1]=4 71 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [1,0,0,0,0,0|1,1,1]=4 72 B9R0.6 CCCC(C)C(N)C(=O)O Z905051876 [0,1,0,0,0,0|2,0,1]=4 73 B9R0.6 COCC(C)C(C)C(=O)O Z1321942658 [0,1,0,0,0,0|1,1,1]=4 74 B9R0.7 C=C(CCN(C)C)C(=O)O Z2582507950 [0,1,0,0,0,0|2,0,0]=3 75 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [0,1,0,0,0,0|2,0,1]=4 76 B9R0.7 CC(C)CCC(N)C(=O)O Z1259339953 [0,1,0,0,0,0|2,0,1]=4 77 B9R0.7 CC(CCN(C)C)C(=O)O Z2754060676 [0,1,0,0,0,0|2,0,1]=4 78 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [0,1,0,0,0,0|1,0,2]=4 79 B9R0.7 O=C(O)C(=O)NCC(F)F Z1493061625 [0,1,0,0,0,0|3,0,0]=4 80 B9R0.7 O=C(O)CCC(=O)C(=O)O Z57127547 [0,1,0,0,0,0|2,0,0]=3 81 B9R0.8 CCCCC(N)C(=O)NO Z1184862892 [0,1,0,0,0,0|2,0,1]=4 82 B9R0.8 CCCCC(N)C(=O)OC Z1675167157 [0,1,0,0,0,0|2,0,1]=4 83 B9R0.8 CNC(=O)C(O)CCSC Z1629562419 [0,1,0,0,0,0|1,0,2]=4 84 B9R0.8 COCCC(N)C(=O)OC Z2168389573 [0,1,0,0,0,0|1,1,1]=4 85 B9R0.13 CCC(CCOC)C(=O)O Z756391352 [0,1,0,0,0,0|1,1,1]=4 86 B9R0.13 CCC/C=C(/C#N)\C(=O)O Z1814381743 [0,1,0,0,0,0|2,0,1]=4 87 B9R0.13 CCCCC(CC)C(=O)O Z104478072 [0,1,0,0,0,0|2,0,1]=4 88 B9R0.13 COC(CCSC)C(=O)O Z1592680734 [0,1,0,0,0,0|0,0,2]=3 89 B9R0.42 C=C(CC(=O)OC)C(=O)O Z1201617378 [0,1,0,0,0,0|1,1,1]=4 90 B9R0.42 CCC(C)CC(N)C(=O)O Z2306603552 [0,1,0,0,0,0|2,0,1]=4 91 B9R0.47 CCCCCC(O)C(=O)O Z788000584 [0,1,0,0,0,0|1,0,2]=4 92 B9R0.47 CCCCOC(C)C(=O)O Z409190966 [0,1,0,0,0,0|2,0,1]=4 93 B9R0.47 CCCCSC(C)C(=O)O Z149191762 [0,1,0,0,0,0|2,0,1]=4 94 B9R0.47 CCCSCC(N)C(=O)O Z444349874 [0,1,0,0,0,0|2,0,1]=4 95 B9R0.47 COCCCC(N)C(=O)O Z1428160326 [0,1,0,0,0,0|1,1,1]=4 96 B9R0.47 COCCNC(=O)C(=O)O Z424779030 [0,1,0,0,0,0|0,1,0]=2 97 B9R0.47 COCCNC(=O)C(C)O Z431951924 [0,1,0,0,0,0|1,1,1]=4 98 B9R0.47 COCCOC(C)C(=O)O Z316259198 [0,1,0,0,0,0|1,1,1]=4 99 B9R0.47 CSCCCC(N)C(=O)O Z3274997631 [0,1,0,0,0,0|1,0,1]=3 100 B9R0.47 NCCCCC(N)C(=O)O Z57127389 [0,1,0,0,0,0|2,0,1]=4 101 B9R0.47 NCCCC[C@H](N)C(=O)O Z812534818 [0,1,0,0,0,0|2,0,1]=4 102 B9R0.51 CCCCC(C)(F)C(=O)O Z1508949719 [0,1,0,0,0,0|2,0,1]=4 103 B9R0.51 COCCC(C)(C)C(=O)O Z995179662 [0,1,0,0,0,0|1,1,1]=4 104 B9R1.6 O=C(O)C1=CCCNC1 Z1198149389 [0,0,0,1,0,0|3,0,0]=4 105 B9R1.6 O=C(O)C1=CCCSC1 Z1172114103 [0,0,0,1,0,0|3,0,0]=4 106 B9R1.6 O=C(O)C1=COCCC1 Z1013753084 [0,0,0,1,0,0|3,0,0]=4 107 B9R1.6 O=C(O)C1CCCCC1 Z104475698 [0,0,0,1,0,0|2,0,1]=4 108 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [0,0,0,1,0,0|2,0,1]=4 109 B9R1.6 O=C(O)C1CCCCO1 Z963633098 [0,0,0,1,0,0|1,0,2]=4 110 B9R1.6 O=C(O)C1CCNCC1 Z104474390 [0,0,0,1,0,0|2,0,1]=4 111 B9R1.6 O=C(O)C1CCOCC1 Z85923421 [0,0,0,1,0,0|1,1,1]=4 112 B9R1.6 O=C(O)C1CCSCC1 Z826531634 [0,0,0,1,0,0|1,0,1]=3 113 B9R1.6 O=C(O)C1CCSCN1 Z1235963996 [0,0,0,1,0,0|1,0,1]=3 114 B9R1.6 O=C(O)C1SCSCS1 Z221524182 [0,0,0,1,0,0|1,1,1]=4 115 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [0,0,0,1,0,0|2,0,1]=4 116 B9R1.35 CC1C=C(CC1)C(=O)O Z1205494874 [0,0,0,1,0,0|2,0,0]=3 117 B9R1.35 CC1CCC(C1)C(=O)O Z1190318311 [0,0,0,1,0,0|2,0,1]=4 118 B9R1.35 CN1CCC(C1)C(=O)O Z406683232 [0,0,0,1,0,0|2,0,1]=4 119 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [0,0,0,1,0,0|2,0,1]=4 120 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [0,0,0,1,0,0|1,0,2]=4 121 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O Z2310055381 [0,0,0,1,0,0|2,0,1]=4 122 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O Z2681202678 [0,0,0,1,0,0|2,0,1]=4 123 B9R1.100 CSCCC(=O)C1CC1 Z1201678963 [0,0,0,1,0,0|2,0,1]=4 124 B9R1.110 CC(=C1CCC1)C(=O)O Z1341746422 [0,0,0,1,0,0|2,0,1]=4 125 B9R1.110 CC(C(=O)O)C1CCC1 Z1198237996 [0,0,0,1,0,0|2,0,1]=4 126 B9R1.110 CC(C(=O)O)C1CNC1 Z1741794178 [0,0,0,1,0,0|2,0,1]=4 127 B9R1.110 NC(C(=O)O)C1CCC1 Z1309515310 [0,0,0,1,0,0|2,0,1]=4 128 B9R1.110 O=C(O)C(O)C1CCC1 Z1205496047 [0,0,0,1,0,0|1,0,2]=4 129 B9R1.112 NC(CC1CC1)C(=O)O Z431958560 [0,0,0,1,0,0|2,0,1]=4 130 B9R1.112 O=C(O)C(=O)NC1CC1 Z424779034 [0,0,0,1,0,0|2,0,0]=3 131 B9R1.112 O=C(O)C(F)CC1CC1 Z1443587524 [0,0,0,1,0,0|2,0,1]=4 132 B9R1.163 CC1(CCCC1)C(=O)O Z199537270 [0,0,0,1,0,0|2,0,1]=4 133 B9R1.163 CC1(CCNC1)C(=O)O Z1407007571 [0,0,0,1,0,0|2,0,1]=4 134 B9R1.163 CC1(CCOC1)C(=O)O Z995182654 [0,0,0,1,0,0|1,1,1]=4 135 B9R1.163 NC1(CCCC1)C(=O)O Z234896477 [0,0,0,1,0,0|2,0,1]=4 136 B9R1.163 NC1(CCOC1)C(=O)O Z1124555363 [0,0,0,1,0,0|1,1,1]=4 137 B9R1.163 NC1(CCSC1)C(=O)O Z317024750 [0,0,0,1,0,0|1,0,1]=3 138 B9R1.163 O=C(O)C1(CCCC1)O Z220335554 [0,0,0,1,0,0|1,0,2]=4 139 B9R1.163 O=C(O)C1(CCOC1)F Z1893239035 [0,0,0,1,0,0|1,1,1]=4 140 B9R1.163 O=C(O)C1(CCOC1)O Z1124555786 [0,0,0,1,0,0|0,1,2]=4 141 B9R0.4 C#CCNC(=O)CC(=O)O Z963468630 [0,0,0,0,0,1|2,0,1]=4 142 B9R0.4 NCCCC(=O)NC(=O)N Z1416282444 [0,0,0,0,0,1|3,0,0]=4 143 B6R0.1 CCCC(=O)CN Z1203579017 [2,0,0,0,0,0|1,0,1]=4 144 B6R0.1 CCCC(=O)NO Z59181937 [2,0,0,0,0,0|1,0,0]=3 145 B6R0.1 CCNC(=O)CO Z431952024 [2,0,0,0,0,0|1,0,1]=4 146 B6R0.1 CCOC(=O)CO Z385458066 [2,0,0,0,0,0|1,0,1]=4 147 B6R0.4 C#CCCC(=O)O Z295890062 [2,0,0,0,0,0|1,0,1]=4 148 B6R0.4 C=CCCC(=O)O Z995028722 [2,0,0,0,0,0|1,0,1]=4 149 B6R0.4 CC/C=C/C(=O)O Z2311573931 [2,0,0,0,0,0|0,0,1]=3 150 B6R0.4 CCC#CC(=O)O Z1205493735 [2,0,0,0,0,0|0,0,2]=4 151 B6R0.4 CCCCC(=O)N Z104476278 [2,0,0,0,0,0|1,0,1]=4 152 B6R0.4 CCCCC(=O)O Z104473312 [2,0,0,0,0,0|0,0,1]=3 153 B6R0.4 CCCNC(=O)C Z33030314 [2,0,0,0,0,0|2,0,0]=4 154 B6R0.4 CCCOC(=O)N Z1198148877 [2,0,0,0,0,0|2,0,0]=4 155 B6R0.4 CCNCC(=O)O Z744593094 [2,0,0,0,0,0|1,0,1]=4 156 B6R0.4 CCOCC(=O)O Z104495232 [2,0,0,0,0,0|1,0,1]=4 157 B6R0.4 CNCCC(=O)C Z1536943318 [2,0,0,0,0,0|1,0,1]=4 158 B6R0.4 COCCC(=O)C Z362119682 [2,0,0,0,0,0|0,1,1]=4 159 B6R0.4 COCCC(=O)N Z394696458 [2,0,0,0,0,0|1,1,0]=4 160 B6R0.4 COCCC(=O)O Z285184634 [2,0,0,0,0,0|0,1,0]=3 161 B6R0.4 CS/C=C/C(=O)O Z1868430572 [2,0,0,0,0,0|0,0,1]=3 162 B6R0.4 CSCCC(=N)N Z1266823407 [2,0,0,0,0,0|2,0,0]=4 163 B6R0.4 CSCCC(=O)O Z54719251 [2,0,0,0,0,0|0,0,0]=2 164 B6R0.4 NCCCC(=O)O Z104475620 [2,0,0,0,0,0|1,0,1]=4 165 B6R0.4 O=C(O)/C=C/CO Z3178016098 [2,0,0,0,0,0|0,1,1]=4 166 B6R0.4 O=C(O)CCCS Z147642510 [2,0,0,0,0,0|0,0,1]=3 167 B6R0.3 CCC(C)C(=O)O Z237374874 [2,0,0,0,0,0|1,0,1]=4 168 B6R0.3 CCC(N)C(=O)O Z104495144 [2,0,0,0,0,0|1,0,1]=4 169 B6R0.3 CCC(O)C(=O)O Z246073650 [2,0,0,0,0,0|0,0,2]=4 170 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [2,0,0,0,0,0|1,0,1]=4 171 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [2,0,0,0,0,0|1,0,1]=4 172 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [2,0,0,0,0,0|1,0,1]=4 173 B6R0.3 CSC(C)C(=O)O Z149191750 [2,0,0,0,0,0|1,0,1]=4 174 B6R0.3 NC(CS)C(=O)O Z966690626 [2,0,0,0,0,0|1,0,1]=4 175 B6R0.3 NNC(=O)C(=O)O Z3068042919 [2,0,0,0,0,0|2,0,0]=4 176 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [2,0,0,0,0,0|1,0,1]=4 177 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [2,0,0,0,0,0|1,0,0]=3 178 B8R0.1 COCCC(=O)COC Z992968820 [1,1,0,0,0,0|0,1,1]=4 179 B8R0.3 CCCC(N)C(=O)NO Z1184862965 [1,1,0,0,0,0|2,0,0]=4 180 B8R0.6 CCCCCC(=O)NO Z59181978 [1,1,0,0,0,0|2,0,0]=4 181 B8R0.9 CC(C)CCC(=O)NO Z59183904 [1,1,0,0,0,0|2,0,0]=4 182 B8R0.19 COC(=O)CC(C)SC Z732206678 [1,1,0,0,0,0|2,0,0]=4 183 B8R0.5 CCC/C(=C/C(=O)O)/C Z352746820 [1,1,0,0,0,0|1,0,1]=4 184 B8R0.5 CCCC(C)CC(=O)O Z352782810 [1,1,0,0,0,0|1,0,1]=4 185 B8R0.5 CCCC(O)CC(=O)O Z982132146 [1,1,0,0,0,0|1,0,1]=4 186 B8R0.5 COC/C(=C/C(=O)O)/C Z992443856 [1,1,0,0,0,0|0,1,1]=4 187 B8R0.5 COCC(C)CC(=O)O Z992443864 [1,1,0,0,0,0|0,1,1]=4 188 B8R0.7 CC#CCCCC(=O)O Z1205494323 [1,1,0,0,0,0|1,0,1]=4 189 B8R0.7 CCCCCCC(=O)O Z104474412 [1,1,0,0,0,0|1,0,1]=4 190 B8R0.7 CCCCOCC(=O)O Z409190912 [1,1,0,0,0,0|1,0,1]=4 191 B8R0.7 CCCCSCC(=O)O Z239951532 [1,1,0,0,0,0|1,0,1]=4 192 B8R0.7 CCCNCCC(=O)O Z2944330072 [1,1,0,0,0,0|1,0,1]=4 193 B8R0.7 CCNCCCC(=O)O Z2937339976 [1,1,0,0,0,0|1,0,1]=4 194 B8R0.7 CCOCCCC(=O)O Z316258950 [1,1,0,0,0,0|0,1,1]=4 195 B8R0.7 CNCCCCC(=O)O Z3034937142 [1,1,0,0,0,0|1,0,1]=4 196 B8R0.7 COCCCCC(=O)O Z362633826 [1,1,0,0,0,0|0,1,1]=4 197 B8R0.7 COCCNCC(=O)O Z1276446903 [1,1,0,0,0,0|0,1,1]=4 198 B8R0.7 COCCOCC(=O)O Z104477918 [1,1,0,0,0,0|0,1,1]=4 199 B8R0.7 COCCSCC(=O)O Z167837764 [1,1,0,0,0,0|0,1,1]=4 200 B8R0.7 CSCCCCC(=O)O Z732206636 [1,1,0,0,0,0|0,0,1]=3 201 B8R0.7 CSCCNCC(=O)O Z2512524162 [1,1,0,0,0,0|0,0,1]=3 202 B8R0.7 NCCCCCC(=O)O Z1272730910 [1,1,0,0,0,0|1,0,1]=4 203 B8R0.7 O=C(O)CCCCCBr Z104477716 [1,1,0,0,0,0|1,0,1]=4 204 B8R0.7 O=C(O)CCCCCF Z1205494157 [1,1,0,0,0,0|1,0,1]=4 205 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [1,1,0,0,0,0|1,0,1]=4 206 B8R0.28 CC(C)CCCC(=O)O Z426022098 [1,1,0,0,0,0|1,0,1]=4 207 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [1,1,0,0,0,0|1,0,1]=4 208 B8R0.2 CC/C(=C(\C)/C(=O)O)/C Z1642058353 [1,1,0,0,0,0|1,0,1]=4 209 B8R0.2 CCC(C)C(=O)C(=O)O Z1205493610 [1,1,0,0,0,0|0,0,0]=2 210 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [1,1,0,0,0,0|1,0,1]=4 211 B8R0.2 CCC(C)C(N)C(=O)O Z104473608 [1,1,0,0,0,0|1,0,1]=4 212 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Z1203578023 [1,1,0,0,0,0|1,0,1]=4 213 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Z1203578040 [1,1,0,0,0,0|1,0,1]=4 214 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Z1205494177 [1,1,0,0,0,0|1,0,1]=4 215 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Z1201618644 [1,1,0,0,0,0|1,0,1]=4 216 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Z756427442 [1,1,0,0,0,0|1,0,1]=4 217 B8R0.2 CSC(C)C(N)C(=O)O Z4511736963 [1,1,0,0,0,0|1,0,1]=4 218 B8R0.2 CSC(C)C(O)C(=O)O Z2787457174 [1,1,0,0,0,0|0,0,2]=4 219 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [1,1,0,0,0,0|1,0,1]=4 220 B8R0.12 CCCC(C)(O)C(=O)O Z788000960 [1,1,0,0,0,0|0,0,2]=4 221 B8R0.12 CSCC(C)(C)C(=O)O Z1205494330 [1,1,0,0,0,0|1,0,1]=4 222 B8R0.15 CCCC(CC)C(=O)O Z756391368 [1,1,0,0,0,0|1,0,1]=4 223 B8R0.15 CCCC(CN)C(=O)O Z970060188 [1,1,0,0,0,0|1,0,1]=4 224 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [1,1,0,0,0,0|0,0,2]=4 225 B8R0.23 CC(C)CC(=O)C(=O)O Z975823226 [1,1,0,0,0,0|0,0,0]=2 226 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [1,1,0,0,0,0|1,0,1]=4 227 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [1,1,0,0,0,0|1,0,1]=4 228 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [1,1,0,0,0,0|1,0,1]=4 229 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [1,1,0,0,0,0|1,0,1]=4 230 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [1,1,0,0,0,0|1,0,1]=4 231 B8R0.23 O=C(O)CC(=O)C(=O)O Z271128590 [1,1,0,0,0,0|0,1,1]=4 232 B10R0.96 CN(C)CC/C(=C/C(=O)O)/Cl Z3771849921 [0,1,0,0,0,1|2,0,0]=4 233 B10R0.122 CCCCS(=O)(=O)CC(=O)O Z295402466 [0,1,0,0,0,1|2,0,0]=4 234 B10R0.122 COCCS(=O)(=O)CC(=O)O Z295402406 [0,1,0,0,0,1|1,1,0]=4 235 B10R0.82 C=C(CCC(=O)OC)C(=O)O Z1262513566 [0,2,0,0,0,0|1,1,0]=4 236 B10R0.19 CCOC(=O)C(O)CCSC Z965048236 [0,2,0,0,0,0|0,0,2]=4 237 B10R0.83 COC(=O)N(C)CCCSC Z1988240513 [0,2,0,0,0,0|2,0,0]=4 238 B10R0.85 CNC(CCSC)C(=O)OC Z3899878399 [0,2,0,0,0,0|1,0,1]=4 239 B10R0.17 CSCCC(C(=O)O)N(C)C Z565906654 [0,2,0,0,0,0|1,0,1]=4 240 B8R1.2 O=CC1=CCCCC1 Z1190318865 [1,0,0,1,0,0|2,0,0]=4 241 B8R1.2 O=CC1=CCOCC1 Z1511760351 [1,0,0,1,0,0|1,1,0]=4 242 B8R1.2 O=CC1CCSCC1 Z1201622265 [1,0,0,1,0,0|1,0,1]=4 243 B8R1.5 O=C1CCCCC1=O Z90122041 [1,0,0,1,0,0|1,0,0]=3 244 B8R1.22 O=C1CCSCCN1 Z1198315286 [1,0,0,1,0,0|2,0,0]=4 245 B8R1.50 CC1=C(C(=O)CC1)O Z1483987834 [1,0,0,1,0,0|1,0,0]=3 246 B8R1.50 CC1=C(C(=O)OC1)O Z1255374651 [1,0,0,1,0,0|2,0,0]=4 247 B8R1.4 CC1CC=CC(=O)O1 Z1509022444 [1,0,0,1,0,0|1,0,1]=4 248 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [1,0,0,1,0,0|1,0,1]=4 249 B8R1.7 O=C(O)C1=COCC1 Z1013753090 [1,0,0,1,0,0|0,1,1]=4 250 B8R1.7 O=C(O)C1=NOCC1 Z1205494291 [1,0,0,1,0,0|1,1,0]=4 251 B8R1.7 O=C(O)C1CCCC1 Z104476116 [1,0,0,1,0,0|1,0,1]=4 252 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [1,0,0,1,0,0|1,0,1]=4 253 B8R1.7 O=C(O)C1CCOC1 Z381356480 [1,0,0,1,0,0|0,1,1]=4 254 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [1,0,0,1,0,0|0,0,1]=3 255 B8R1.7 O=C(O)C1CSCN1 Z104495996 [1,0,0,1,0,0|1,0,1]=4 256 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [1,0,0,1,0,0|1,0,1]=4 257 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [1,0,0,1,0,0|1,0,1]=4 258 B8R1.31 O=C(O)C1=C(CC1)Cl Z3358630818 [1,0,0,1,0,0|2,0,0]=4 259 B8R1.34 O=C(O)C=C1CCC1 Z1205494261 [1,0,0,1,0,0|1,0,1]=4 260 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [1,0,0,1,0,0|1,0,1]=4 261 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [1,0,0,1,0,0|1,0,1]=4 262 B8R1.18 CC1CC(C(=O)O1)N Z118507726 [1,0,0,1,0,0|1,0,1]=4 263 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [1,0,0,1,0,0|1,0,1]=4 264 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [1,0,0,1,0,0|1,0,1]=4 265 B8R1.54 CC(C(=O)O)C1CC1 Z792377292 [1,0,0,1,0,0|1,0,1]=4 266 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [1,0,0,1,0,0|1,0,1]=4 267 B8R1.54 O=C(O)C(O)C1CC1 Z802856440 [1,0,0,1,0,0|0,0,2]=4 268 B8R1.78 CC1(CCC1)C(=O)O Z1205493900 [1,0,0,1,0,0|1,0,1]=4 269 B8R1.78 NC1(CCC1)C(=O)O Z1431905448 [1,0,0,1,0,0|1,0,1]=4 270 B8R1.78 O=C(O)C1(CCC1)Br Z220564362 [1,0,0,1,0,0|1,0,1]=4 271 B8R1.78 O=C(O)C1(CCC1)O Z220564366 [1,0,0,1,0,0|0,0,2]=4 272 B10R1.8 CCC1CC(=O)CC(=O)C1 Z85928366 [0,0,0,1,0,1|2,0,0]=4 273 B10R1.8 CCC1CC(=O)NC(=O)C1 Z1095368879 [0,0,0,1,0,1|2,0,0]=4 274 B10R1.18 O=C(O)C=C1CCCCC1 Z352748084 [0,0,0,1,0,1|2,0,0]=4 275 B10R1.18 O=C(O)C=C1CCOCC1 Z440605394 [0,0,0,1,0,1|1,1,0]=4 276 B10R1.18 O=C(O)C=C1CCSCC1 Z1262528560 [0,0,0,1,0,1|1,0,0]=3 277 B10R1.18 O=C(O)CC1=CCCCC1 Z1138835936 [0,0,0,1,0,1|2,0,0]=4 278 B10R1.18 O=C(O)CC1=CCOCC1 Z1205495477 [0,0,0,1,0,1|1,1,0]=4 279 B10R1.18 O=C(O)CC1CCSCC1 Z826531570 [0,0,0,1,0,1|1,0,1]=4 280 B10R1.54 CC1CC/C(=C\C(=O)O)/C1 Z1868431092 [0,0,0,1,0,1|2,0,0]=4 281 B10R1.54 CN1CC/C(=C\C(=O)O)/C1 Z2469998616 [0,0,0,1,0,1|2,0,0]=4 282 B10R1.61 O=C(O)C1=C(CCCC1)Cl Z198749560 [0,0,0,1,0,1|2,0,0]=4 283 B10R1.130 CCCC1NC(=O)NC1=O Z104495354 [0,0,0,1,0,1|2,0,0]=4 284 B10R1.130 CSCC1NC(=O)NC1=O Z1262692662 [0,0,0,1,0,1|1,0,0]=3 285 B10R1.370 NC1(CCSC1)CC(=O)O Z1742242134 [0,0,0,1,0,1|1,0,1]=4 286 B10R1.23 CC(=C1CCCC1)C(=O)O Z1205494373 [0,1,0,1,0,0|2,0,0]=4 287 B10R1.23 O=C(O)C(=C1CCCC1)F Z1205656057 [0,1,0,1,0,0|2,0,0]=4 288 B10R1.15 COC(=O)C1CCSCC1 Z1190142949 [0,1,0,1,0,0|1,0,1]=4 289 B10R1.15 COC(=O)C1CCSCN1 Z4924246834 [0,1,0,1,0,0|1,0,1]=4 290 B10R1.29 CSCCN1CCOC1=O Z1526456203 [0,1,0,1,0,0|2,0,0]=4 291 B10R1.411 COC(=O)C1(CCSC1)N Z3674923303 [0,1,0,1,0,0|1,0,1]=4 292 B10R1.194 CN1CCC(C1=O)C(=O)O Z1205494535 [0,1,0,1,0,0|1,0,1]=4 293 B10R1.477 COC1(CCSC1)C(=O)O Z803492126 [0,1,0,1,0,0|0,0,2]=4 294 B10R1.113 CC1CC(CCS1)C(=O)O Z3242951587 [0,1,0,1,0,0|1,0,1]=4 295 B10R1.363 CC1(CCSCC1)C(=O)O Z1255441874 [0,1,0,1,0,0|1,0,1]=4 296 B10R1.363 NC1(CCCSC1)C(=O)O Z1029463938 [0,1,0,1,0,0|1,0,1]=4 297 B10R1.363 NC1(CCSCC1)C(=O)O Z802893750 [0,1,0,1,0,0|1,0,1]=4 298 B10R1.363 O=C(O)C1(CCSCC1)O Z803080616 [0,1,0,1,0,0|0,0,2]=4 299 B10R0.78 CCCNC(=O)CCC(=O)O Z90423791 [0,0,0,0,0,2|2,0,0]=4 300 B10R0.78 NCCCC(=O)NCC(=O)O Z760081522 [0,0,0,0,0,2|2,0,0]=4