0 B9R0.55 CC(=NOCCC(=O)O)C Z1205494264 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.55 CC(C)CCCCC(=O)O Z1198148498 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.55 CC(C)CCOCC(=O)O Z316259082 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.55 CC(C)CCSCC(=O)O Z228589154 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.55 CC(C)CNCCC(=O)O Z594038396 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.55 CC(C)COCCC(=O)O Z316259216 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.55 CC(C)CSCCC(=O)O Z54708723 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.55 CC(C)NCCCC(=O)O Z235348217 [0,0,0,0,0,0|3,0,1]=4 8 B9R0.55 CC(C)OCCCC(=O)O Z316259254 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.55 CC(N)CCCCC(=O)O Z1276446933 [0,0,0,0,0,0|2,0,1]=3 10 B9R0.55 CN(C)CCCCC(=O)O Z1259273153 [0,0,0,0,0,0|3,0,0]=3 11 B9R0.55 NC(=O)CCCCC(=O)O Z429601664 [0,0,0,0,0,0|1,0,0]=1 12 B9R0.55 NC(=O)CSCCC(=O)O Z17834964 [0,0,0,0,0,0|2,0,0]=2 13 B9R0.55 NC(=O)NCCCC(=O)O Z56912008 [0,0,0,0,0,0|2,0,0]=2 14 B9R0.55 O=C(O)CCCCC(=O)O Z57127533 [0,0,0,0,0,0|0,0,0]=0 15 B9R0.55 O=C(O)CCOCC(F)F Z1375308185 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.7 C#CCCNCC(=O)O Z4916843541 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.7 C#CCCOCC(=O)O Z1205655947 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.7 C#CCOCCC(=O)O Z362807240 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.7 C=CCCOCC(=O)O Z362807886 [1,0,0,0,0,0|2,0,0]=3 20 B8R0.7 C=CCNCCC(=O)O Z3388124649 [1,0,0,0,0,0|2,0,0]=3 21 B8R0.7 CC#CCCCC(=O)O Z1205494323 [1,0,0,0,0,0|1,0,2]=4 22 B8R0.7 CC(=O)CCCCC#N Z2350907379 [1,0,0,0,0,0|2,0,1]=4 23 B8R0.7 CCCCCCC(=O)O Z104474412 [1,0,0,0,0,0|1,0,1]=3 24 B8R0.7 CCCCOCC(=O)O Z409190912 [1,0,0,0,0,0|2,0,1]=4 25 B8R0.7 CCCCSCC(=O)O Z239951532 [1,0,0,0,0,0|2,0,1]=4 26 B8R0.7 CCCNCCC(=O)O Z2944330072 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.7 CCNCCCC(=O)O Z2937339976 [1,0,0,0,0,0|2,0,1]=4 28 B8R0.7 CCOCCCC(=O)O Z316258950 [1,0,0,0,0,0|2,0,1]=4 29 B8R0.7 CNCCCCC(=O)O Z3034937142 [1,0,0,0,0,0|2,0,0]=3 30 B8R0.7 COCCCCC(=O)O Z362633826 [1,0,0,0,0,0|2,0,0]=3 31 B8R0.7 COCCNCC(=O)O Z1276446903 [1,0,0,0,0,0|3,0,0]=4 32 B8R0.7 COCCOCC(=O)O Z104477918 [1,0,0,0,0,0|3,0,0]=4 33 B8R0.7 COCCSCC(=O)O Z167837764 [1,0,0,0,0,0|3,0,0]=4 34 B8R0.7 CSCCCCC(=O)O Z732206636 [1,0,0,0,0,0|2,0,0]=3 35 B8R0.7 CSCCNCC(=O)O Z2512524162 [1,0,0,0,0,0|3,0,0]=4 36 B8R0.7 N#CCCSCC(=O)O Z1205494587 [1,0,0,0,0,0|2,0,1]=4 37 B8R0.7 NCCCCCC(=O)O Z1272730910 [1,0,0,0,0,0|1,0,1]=3 38 B8R0.7 NCCCOCC(=O)O Z3178895188 [1,0,0,0,0,0|2,0,1]=4 39 B8R0.7 NCCOCCC(=O)O Z1262546494 [1,0,0,0,0,0|2,0,1]=4 40 B8R0.7 O=C(O)CCCCCBr Z104477716 [1,0,0,0,0,0|1,0,1]=3 41 B8R0.7 O=C(O)CCCCCF Z1205494157 [1,0,0,0,0,0|1,0,1]=3 42 B8R0.7 O=C(O)CCNCCO Z53116574 [1,0,0,0,0,0|1,0,1]=3 43 B8R0.7 O=C([O-])CNCCCO Z5147896273 [1,0,0,0,0,0|1,0,2]=4 44 B10R0.15 CC(C)(C)CCCCC(=O)O Z1198156575 [0,1,0,0,0,0|2,0,1]=4 45 B10R0.15 C[N+](C)(C)CCCCC(=O)O Z1262519915 [0,1,0,0,0,0|3,0,0]=4 46 B10R0.15 O=C(O)CCCCC(F)(F)F Z1198160341 [0,1,0,0,0,0|2,0,1]=4 47 B10R0.55 CCC(C)CCCCC(=O)O Z1198160151 [0,1,0,0,0,0|2,0,1]=4 48 B10R0.55 CNC(=O)CCCCC(=O)O Z429593536 [0,1,0,0,0,0|1,0,0]=2 49 B10R0.55 COC(=O)CCCCC(=O)O Z1255485264 [0,1,0,0,0,0|0,0,0]=1 50 B10R0.55 COC(=O)CSCCC(=O)O Z54688741 [0,1,0,0,0,0|1,0,0]=2 51 B10R0.55 COC(=O)NCCCC(=O)O Z319610262 [0,1,0,0,0,0|1,0,0]=2 52 B10R0.55 NCC(=O)CCCCC(=O)O Z1262545972 [0,1,0,0,0,0|1,0,0]=2 53 B10R0.96 CC(CCC(=O)O)CC(=O)O Z104477714 [0,1,0,0,0,0|0,0,0]=1 54 B10R0.96 CC(CCC(=O)O)CN(C)C Z4423737143 [0,1,0,0,0,0|3,0,0]=4 55 B10R0.98 CC(C)C(N)CCCC(=O)O Z4573099344 [0,1,0,0,0,0|2,0,1]=4 56 B10R0.98 CC(C)CCCC(N)C(=O)O Z2855996233 [0,1,0,0,0,0|2,0,1]=4 57 B10R0.98 CC(N)CCCC(C)C(=O)O Z1258848487 [0,1,0,0,0,0|2,0,1]=4 58 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Z1222399234 [0,1,0,0,0,0|1,0,0]=2 59 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O Z1255486317 [0,1,0,0,0,0|0,0,0]=1 60 B10R1.54 CC(=O)CC1CCC(=O)N1 Z1416183404 [0,0,0,1,0,0|2,0,0]=3 61 B10R1.54 CC1CCC(C1)CC(=O)O Z1205494179 [0,0,0,1,0,0|2,0,1]=4 62 B10R1.54 CC1CCC(O1)CC(=O)O Z1205494903 [0,0,0,1,0,0|1,0,1]=3 63 B10R1.54 CN1CCC(C1)CC(=O)O Z2492774445 [0,0,0,1,0,0|3,0,0]=4 64 B10R1.54 N[C@@H]1CC[C@@H](C1)CC(=O)O Z3070901966 [0,0,0,1,0,0|2,0,1]=4 65 B10R1.54 O=C(O)CC1CNC(=O)C1 Z1203747646 [0,0,0,1,0,0|2,0,0]=3 66 B10R1.54 O=C(O)CC1COC(=O)C1 Z1205494290 [0,0,0,1,0,0|2,0,0]=3 67 B10R1.82 NC1CC(C1)CCC(=O)O Z3070475300 [0,0,0,1,0,0|2,0,1]=4 68 B10R1.82 N[C@H]1C[C@@H](C1)CCC(=O)O Z3681494125 [0,0,0,1,0,0|2,0,1]=4 69 B10R1.82 N[C@H]1C[C@H](C1)CCC(=O)O Z3213800541 [0,0,0,1,0,0|2,0,1]=4 70 B10R1.113 CC1CCCC(C1)C(=O)O Z792377174 [0,0,0,1,0,0|2,0,1]=4 71 B10R1.113 CC1CCCC(O1)C(=O)O Z1205497461 [0,0,0,1,0,0|1,0,1]=3 72 B10R1.113 CN1CCCC(C1)C(=O)O Z752370754 [0,0,0,1,0,0|3,0,0]=4 73 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O Z2471603588 [0,0,0,1,0,0|2,0,1]=4 74 B10R1.113 NC1CCCC(C1)C(=O)O Z979485684 [0,0,0,1,0,0|2,0,1]=4 75 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O Z2309783249 [0,0,0,1,0,0|2,0,1]=4 76 B10R1.113 O=C(O)C1CCCC(C1)F Z2066862889 [0,0,0,1,0,0|2,0,1]=4 77 B10R1.113 O=C(O)C1CCCC(C1)O Z1205494896 [0,0,0,1,0,0|1,0,1]=3 78 B10R1.113 O=C1CC(CCN1)C(=O)O Z1203735095 [0,0,0,1,0,0|2,0,0]=3 79 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O Z1198182319 [0,0,0,1,0,0|1,0,0]=2 80 B10R1.113 O=C1CSCC(N1)C(=O)O Z359515788 [0,0,0,1,0,0|2,0,0]=3 81 B10R1.113 O=C1NC(CCO1)C(=O)O Z1509031012 [0,0,0,1,0,0|2,0,0]=3 82 B10R1.128 CC1(CCCC1C(=O)O)C Z1205494169 [0,0,0,1,0,0|2,0,1]=4 83 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N Z2306832357 [0,0,0,1,0,0|2,0,1]=4 84 B10R1.128 O=C(O)C1CCCC1(F)F Z1222424705 [0,0,0,1,0,0|2,0,1]=4 85 B10R1.128 O=C(O)C1CCCS1(=O)=O Z1259179102 [0,0,0,1,0,0|1,0,1]=3 86 B10R1.361 NC(=O)C1CCC1C(=O)O Z1203638038 [0,0,0,1,0,0|1,0,0]=2 87 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O Z2306736599 [0,0,0,1,0,0|0,0,0]=1 88 B10R1.368 CC(C)C[C@@H]1C[C@H]1C(=O)O Z2235790964 [0,0,0,1,0,0|2,0,1]=4 89 B10R1.368 CN(C)C[C@@H]1C[C@@H]1C(=O)O Z3681224464 [0,0,0,1,0,0|3,0,0]=4 90 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [0,0,0,0,1,0|2,0,1]=4 91 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [0,0,0,0,1,0|1,0,0]=2 92 B8R0.28 CC(=O)CSCC(=O)[O-] Z1359429555 [0,0,0,0,1,0|2,0,1]=4 93 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [0,0,0,0,1,0|2,0,0]=3 94 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [0,0,0,0,1,0|2,0,0]=3 95 B8R0.28 CC(C)CCCC(=O)O Z426022098 [0,0,0,0,1,0|2,0,1]=4 96 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [0,0,0,0,1,0|2,0,1]=4 97 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [0,0,0,0,1,0|1,0,2]=4 98 B8R0.28 N=C(N)NCCC(=O)O Z959165114 [0,0,0,0,1,0|3,0,0]=4 99 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [0,0,0,0,1,0|1,0,0]=2 100 B8R0.28 NC(=O)CNCC(=O)N Z162774608 [0,0,0,0,1,0|3,0,0]=4 101 B8R0.28 NC(=O)CNCC(=O)O Z4658099947 [0,0,0,0,1,0|2,0,0]=3 102 B8R0.28 NC(=O)CSCC(=O)O Z19691778 [0,0,0,0,1,0|2,0,0]=3 103 B8R0.28 NC(=O)NCCC(=O)O Z56347556 [0,0,0,0,1,0|2,0,0]=3 104 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [0,0,0,0,1,0|0,0,0]=1 105 B8R0.28 O=C(O)CNCC(=O)O Z104476528 [0,0,0,0,1,0|1,0,0]=2 106 B8R0.28 O=C(O)COCC(=O)O Z57965384 [0,0,0,0,1,0|1,0,0]=2 107 B8R0.28 O=C(O)CSCC(=O)O Z104478584 [0,0,0,0,1,0|1,0,0]=2 108 B10R0.97 CC(=O)NCCOCC(=O)O Z1323534045 [0,0,0,0,0,1|2,0,0]=3 109 B10R0.97 CC(C)CCCCCC(=O)O Z1198149402 [0,0,0,0,0,1|2,0,1]=4 110 B10R0.97 CN(C)CCOCCC(=O)O Z3400152526 [0,0,0,0,0,1|3,0,0]=4 111 B10R0.97 NC(=O)NCCCCC(=O)O Z90663560 [0,0,0,0,0,1|1,0,0]=2 112 B10R0.97 O=C(O)CCCCCC(=O)O Z104495338 [0,0,0,0,0,1|0,0,0]=1 113 B10R0.97 O=C(O)CCSCCC(=O)O Z104476280 [0,0,0,0,0,1|0,0,0]=1 114 B10R0.97 O=C(O)CSCSCC(=O)O Z56759247 [0,0,0,0,0,1|1,0,0]=2 115 B7R0.1 OCCCCCCO Z104473540 [2,0,0,0,0,0|0,0,2]=4 116 B7R0.4 C=CCCCC(=O)O Z1205493561 [2,0,0,0,0,0|0,0,1]=3 117 B7R0.4 C=CCNCC(=O)O Z803145546 [2,0,0,0,0,0|1,0,1]=4 118 B7R0.4 C=CCOCC(=O)O Z362807794 [2,0,0,0,0,0|1,0,1]=4 119 B7R0.4 C=CCSCC(=O)O Z149151274 [2,0,0,0,0,0|1,0,1]=4 120 B7R0.4 CC(=O)NCCCO Z353570744 [2,0,0,0,0,0|2,0,0]=4 121 B7R0.4 CCCCCC(=O)O Z104503532 [2,0,0,0,0,0|0,0,1]=3 122 B7R0.4 CCCNCC(=O)O Z744582718 [2,0,0,0,0,0|1,0,1]=4 123 B7R0.4 CCCOCC(=O)O Z406677750 [2,0,0,0,0,0|1,0,1]=4 124 B7R0.4 CCCSCC(=O)O Z228425458 [2,0,0,0,0,0|1,0,1]=4 125 B7R0.4 CCNCCC(=O)O Z1869802098 [2,0,0,0,0,0|1,0,1]=4 126 B7R0.4 CCOCCC(=O)O Z316258938 [2,0,0,0,0,0|1,0,1]=4 127 B7R0.4 CCSCCC(=O)O Z197206046 [2,0,0,0,0,0|1,0,1]=4 128 B7R0.4 CNCCCC(=O)O Z57043473 [2,0,0,0,0,0|1,0,1]=4 129 B7R0.4 COCCCC(=O)O Z316258912 [2,0,0,0,0,0|1,0,1]=4 130 B7R0.4 CSCCCC(=O)O Z54602911 [2,0,0,0,0,0|1,0,1]=4 131 B7R0.4 N#CCCCC(=O)O Z1198152304 [2,0,0,0,0,0|1,0,1]=4 132 B7R0.4 NC(=O)COCCO Z1198148880 [2,0,0,0,0,0|2,0,0]=4 133 B7R0.4 NC(=O)NCCCO Z198194722 [2,0,0,0,0,0|2,0,0]=4 134 B7R0.4 NCCCCC(=O)N Z1639630947 [2,0,0,0,0,0|2,0,0]=4 135 B7R0.4 NCCCCC(=O)O Z271111992 [2,0,0,0,0,0|1,0,0]=3 136 B7R0.4 NCCNCC(=O)O Z2692249907 [2,0,0,0,0,0|2,0,0]=4 137 B7R0.4 NCCOCC(=O)O Z1650039500 [2,0,0,0,0,0|2,0,0]=4 138 B7R0.4 NCCSCC(=O)O Z1381287295 [2,0,0,0,0,0|2,0,0]=4 139 B7R0.4 O=C(O)CCCCBr Z104479696 [2,0,0,0,0,0|1,0,0]=3 140 B7R0.4 O=C(O)CCCCS Z808230828 [2,0,0,0,0,0|0,1,0]=3 141 B7R0.4 O=C(O)CNCCO Z425411352 [2,0,0,0,0,0|1,0,0]=3 142 B7R0.4 O=C([O-])CCCCO Z2335631573 [2,0,0,0,0,0|0,0,1]=3 143 B7R0.4 O=C([O-])COCCO Z1744715804 [2,0,0,0,0,0|1,0,1]=4 144 B9R0.1 CN(CCCC(=O)O)N=O Z1198155577 [1,1,0,0,0,0|2,0,0]=4 145 B9R0.2 C#CCCCCCC(=O)O Z1205493707 [1,1,0,0,0,0|1,0,1]=4 146 B9R0.2 C=CCOCCCC(=O)O Z362807808 [1,1,0,0,0,0|1,0,0]=3 147 B9R0.2 CCCCCCCC(=O)O Z104495238 [1,1,0,0,0,0|1,0,1]=4 148 B9R0.2 CCCCCOCC(=O)O Z409357548 [1,1,0,0,0,0|1,0,1]=4 149 B9R0.2 CCCCSCCC(=O)O Z149304844 [1,1,0,0,0,0|1,0,1]=4 150 B9R0.2 CCNCCCCC(=O)O Z2893830564 [1,1,0,0,0,0|1,0,1]=4 151 B9R0.2 COCCNCCC(=O)O Z53116030 [1,1,0,0,0,0|1,0,1]=4 152 B9R0.2 COCCOCCC(=O)O Z316259200 [1,1,0,0,0,0|1,0,1]=4 153 B9R0.2 NCCCCCCC(=O)O Z56896351 [1,1,0,0,0,0|1,0,1]=4 154 B9R0.2 NCCOCCCC(=O)O Z5080450038 [1,1,0,0,0,0|1,0,1]=4 155 B9R0.2 O=C(O)CCNCCCO Z53116999 [1,1,0,0,0,0|0,0,1]=3 156 B9R0.4 CC(CC(=O)O)NCCO Z431539096 [1,1,0,0,0,0|1,0,1]=4 157 B9R0.46 COC(=O)CCCCCN Z57012282 [1,1,0,0,0,0|1,0,1]=4 158 B9R0.47 C#CCCCC(N)C(=O)O Z3325155760 [1,1,0,0,0,0|1,0,1]=4 159 B9R0.47 C=CCCCC(N)C(=O)O Z2906280520 [1,1,0,0,0,0|1,0,0]=3 160 B9R0.47 C=CCCOC(C)C(=O)O Z362807908 [1,1,0,0,0,0|2,0,0]=4 161 B9R0.47 CCCCCC(O)C(=O)O Z788000584 [1,1,0,0,0,0|1,0,1]=4 162 B9R0.47 COCCCC(N)C(=O)O Z1428160326 [1,1,0,0,0,0|2,0,0]=4 163 B9R0.47 CSCCCC(N)C(=O)O Z3274997631 [1,1,0,0,0,0|2,0,0]=4 164 B9R0.47 NCCCCC(N)C(=O)O Z57127389 [1,1,0,0,0,0|1,0,1]=4 165 B9R0.47 NCCCC[C@H](N)C(=O)O Z812534818 [1,1,0,0,0,0|1,0,1]=4 166 B9R0.48 CN(CCO)CCC(=O)O Z53116523 [1,1,0,0,0,0|1,0,1]=4 167 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [0,1,0,0,1,0|1,0,0]=3 168 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [0,1,0,0,1,0|2,0,0]=4 169 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [0,1,0,0,1,0|1,0,0]=3 170 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [0,1,0,0,1,0|1,0,0]=3 171 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [0,1,0,0,1,0|1,0,0]=3 172 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [0,1,0,0,1,0|0,0,0]=2 173 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [0,1,0,0,1,0|0,0,0]=2 174 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [0,1,0,0,1,0|0,0,0]=2 175 B9R0.7 O=C(O)CCC(=O)C(=O)O Z57127547 [0,1,0,0,1,0|0,0,1]=3 176 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] Z3767523054 [0,1,0,0,1,0|0,0,2]=4 177 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O Z1198157053 [0,1,0,0,1,0|0,0,2]=4 178 B9R0.53 CC(CC(=O)O)CC(=O)O Z1041180516 [0,1,0,0,1,0|0,0,0]=2 179 B9R0.53 CC(CC(=O)O)NC(=O)N Z398943198 [0,1,0,0,1,0|2,0,0]=4 180 B9R0.53 CN(CC(=O)O)CC(=O)O Z119894774 [0,1,0,0,1,0|1,0,0]=3 181 B9R0.53 O=C(O)CC(O)CC(=O)O Z1198167174 [0,1,0,0,1,0|0,0,0]=2 182 B9R0.56 CS(=O)(=O)CCCC(=O)O Z732206736 [0,1,0,0,1,0|1,0,1]=4 183 B9R0.56 NS(=O)(=O)CCCC(=O)O Z351064580 [0,1,0,0,1,0|1,0,1]=4 184 B9R0.56 O=C(O)CCCP(=O)(O)O Z1255431129 [0,1,0,0,1,0|1,0,0]=3 185 B9R0.56 O=C(O)CNCP(=O)(O)O Z3225522739 [0,1,0,0,1,0|2,0,0]=4 186 B11R0.6 CC(=CCCC(C)CC(=O)O)C Z1255423445 [0,1,0,0,0,1|2,0,0]=4 187 B11R0.29 CC(=O)C(C)CCCCC(=O)O Z1262513809 [0,1,0,0,0,1|1,0,0]=3 188 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O Z3661982306 [0,1,0,0,0,1|1,0,0]=3 189 B11R0.29 N=C(N)NCCCC(N)C(=O)O Z56896349 [0,1,0,0,0,1|2,0,0]=4 190 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Z1201618596 [0,1,0,0,0,1|2,0,0]=4 191 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O Z1143220275 [0,1,0,0,0,1|2,0,0]=4 192 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O Z1255438848 [0,1,0,0,0,1|1,0,0]=3 193 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O Z1198149761 [0,1,0,0,0,1|1,0,0]=3 194 B11R0.31 NS(=O)(=O)CCCCCC(=O)O Z1262522340 [0,1,0,0,0,1|1,0,1]=4 195 B11R0.85 CN(CCC(=O)O)CCC(=O)O Z1459937563 [0,1,0,0,0,1|0,0,0]=2 196 B11R0.85 O=C(O)CCC(=O)NCC(=O)O Z608592516 [0,1,0,0,0,1|0,0,1]=3 197 B11R0.85 O=C(O)CCS(=O)CCC(=O)O Z1198160459 [0,1,0,0,0,1|0,0,0]=2 198 B11R0.106 COC(=O)CCCCC(=O)OC Z104475818 [0,2,0,0,0,0|0,0,0]=2 199 B11R0.106 COC(=O)CCCNC(=O)CCl Z147651648 [0,2,0,0,0,0|2,0,0]=4 200 B11R0.106 COC(=O)CCSCC(=O)OC Z54336728 [0,2,0,0,0,0|1,0,0]=3 201 B11R0.106 NNC(=O)CCCCC(=O)NN Z56812730 [0,2,0,0,0,0|2,0,0]=4 202 B11R0.145 COC(=O)N(C)CCCC(=O)O Z382705220 [0,2,0,0,0,0|1,0,0]=3 203 B11R0.176 CCOC(=O)NCCCC(=O)O Z64436827 [0,2,0,0,0,0|1,0,0]=3 204 B11R0.176 NCCC(=O)NCCCC(=O)O Z760082992 [0,2,0,0,0,0|2,0,0]=4 205 B11R0.232 CC(=O)OCC(C)(C)CC(=O)O Z1262553534 [0,2,0,0,0,0|2,0,0]=4 206 B11R0.150 CC(SC[C@H](N)C(=O)O)C(=O)O Z4607373725 [0,2,0,0,0,0|1,0,0]=3 207 B9R1.2 O=C1CCCC(N1)CO Z1198313433 [1,0,0,1,0,0|1,0,1]=4 208 B9R1.6 O=C(O)C1C=CCCC1 Z57127330 [1,0,0,1,0,0|1,0,0]=3 209 B9R1.6 O=C(O)C1C=CCCN1 Z3668162534 [1,0,0,1,0,0|2,0,0]=4 210 B9R1.6 O=C(O)C1C=CCNC1 Z3488456277 [1,0,0,1,0,0|2,0,0]=4 211 B9R1.6 O=C(O)C1CC=CCC1 Z57921336 [1,0,0,1,0,0|1,0,1]=4 212 B9R1.6 O=C(O)C1CCCCC1 Z104475698 [1,0,0,1,0,0|1,0,1]=4 213 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [1,0,0,1,0,0|1,0,1]=4 214 B9R1.6 O=C(O)C1CCCCO1 Z963633098 [1,0,0,1,0,0|0,0,1]=3 215 B9R1.6 O=C(O)C1CCCNC1 Z324553206 [1,0,0,1,0,0|2,0,0]=4 216 B9R1.6 O=C(O)C1CCCOC1 Z445214062 [1,0,0,1,0,0|2,0,0]=4 217 B9R1.6 O=C(O)C1CCCSC1 Z1198485079 [1,0,0,1,0,0|2,0,0]=4 218 B9R1.6 O=C(O)C1CCCSS1 Z1262517456 [1,0,0,1,0,0|1,1,0]=4 219 B9R1.6 O=C(O)C1CCNC=N1 Z2471799191 [1,0,0,1,0,0|2,0,0]=4 220 B9R1.6 O=C(O)C1COCCO1 Z362763682 [1,0,0,1,0,0|1,0,1]=4 221 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [1,0,0,1,0,0|1,0,1]=4 222 B9R1.6 O=C([O-])C1CCC=CO1 Z1592042421 [1,0,0,1,0,0|0,0,2]=4 223 B9R1.13 CC(=O)CC1CCCO1 Z513734588 [1,0,0,1,0,0|1,0,1]=4 224 B9R1.13 O=C(O)CC1C=CCC1 Z104507506 [1,0,0,1,0,0|1,0,0]=3 225 B9R1.13 O=C(O)CC1CCCC1 Z104477042 [1,0,0,1,0,0|1,0,1]=4 226 B9R1.13 O=C(O)CC1CCCN1 Z1480642793 [1,0,0,1,0,0|1,0,1]=4 227 B9R1.13 O=C(O)CC1CCNC1 Z1863617764 [1,0,0,1,0,0|2,0,0]=4 228 B9R1.13 O=C(O)CC1CCOC1 Z825745916 [1,0,0,1,0,0|2,0,0]=4 229 B9R1.13 O=C(O)CC1OCCO1 Z1205496445 [1,0,0,1,0,0|1,0,1]=4 230 B9R1.13 O=C(O)C[C@@H]1CCCO1 Z1862025858 [1,0,0,1,0,0|0,0,1]=3 231 B9R1.13 O=C(O)C[C@H]1CCOC1 Z1205495408 [1,0,0,1,0,0|2,0,0]=4 232 B9R1.41 CC1=C(CCC1)C(=O)O Z1205493763 [1,0,0,1,0,0|1,0,1]=4 233 B9R1.41 CC1CCCC1C(=O)O Z1205493876 [1,0,0,1,0,0|1,0,1]=4 234 B9R1.41 CN1CCCC1C(=O)O Z424762078 [1,0,0,1,0,0|2,0,0]=4 235 B9R1.41 CN1CCC[C@@H]1C(=O)O Z1205493803 [1,0,0,1,0,0|2,0,0]=4 236 B9R1.41 NC1CCCC1C(=O)O Z1250132738 [1,0,0,1,0,0|1,0,1]=4 237 B9R1.41 NN1CCC[C@@H]1C(=O)O Z1205495541 [1,0,0,1,0,0|2,0,0]=4 238 B9R1.41 NN1CCC[C@H]1C(=O)O Z1205494129 [1,0,0,1,0,0|2,0,0]=4 239 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Z2568674579 [1,0,0,1,0,0|1,0,1]=4 240 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Z2327569946 [1,0,0,1,0,0|1,0,1]=4 241 B9R1.41 O=C(O)C1=C(CCC1)Cl Z1198161164 [1,0,0,1,0,0|1,0,1]=4 242 B9R1.41 O=C(O)C1CCCC1O Z1080722426 [1,0,0,1,0,0|0,0,1]=3 243 B9R1.41 O=C(O)C1CCNC1=O Z1203733517 [1,0,0,1,0,0|1,0,0]=3 244 B9R1.48 O=C1CCCCC(=O)C1 Z607750376 [1,0,0,1,0,0|1,0,0]=3 245 B9R1.48 O=C1CCCNC(=O)C1 Z1203731695 [1,0,0,1,0,0|2,0,0]=4 246 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O Z2310055381 [1,0,0,1,0,0|1,0,1]=4 247 B9R1.67 NC1CCC1CC(=O)O Z4080002320 [1,0,0,1,0,0|1,0,1]=4 248 B9R1.86 NC[C@@H]1C[C@@H]1CC(=O)O Z4913154380 [1,0,0,1,0,0|1,0,1]=4 249 B9R1.96 NC[C@@H]1CC[C@@H]1C(=O)O Z4659668967 [1,0,0,1,0,0|1,0,1]=4 250 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [0,0,0,1,1,0|1,0,1]=4 251 B9R1.35 O=C1CC(CN1)C(=O)O Z239137534 [0,0,0,1,1,0|2,0,0]=4 252 B9R1.35 O=C1CC(CO1)C(=O)O Z1205493721 [0,0,0,1,1,0|2,0,0]=4 253 B9R1.35 O=C1CC(CS1)C(=O)O Z1201622329 [0,0,0,1,1,0|2,0,0]=4 254 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [0,0,0,1,1,0|1,0,0]=3 255 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [0,0,0,1,1,0|1,0,0]=3 256 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [0,0,0,1,1,0|0,0,0]=2 257 B9R1.35 O=C1CCC(S1)C(=O)O Z1205655674 [0,0,0,1,1,0|0,1,0]=3 258 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [0,0,0,1,1,0|1,0,0]=3 259 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [0,0,0,1,1,0|1,0,0]=3 260 B9R1.35 O=C1CN[C@@H](C1)C(=O)O Z2902023119 [0,0,0,1,1,0|2,0,0]=4 261 B9R1.35 O=C1COC(C1)C(=O)O Z3002628864 [0,0,0,1,1,0|2,0,0]=4 262 B9R1.35 O=C1NC(CO1)C(=O)O Z1201627960 [0,0,0,1,1,0|2,0,0]=4 263 B9R1.35 O=C1NC(CS1)C(=O)O Z199409846 [0,0,0,1,1,0|2,0,0]=4 264 B9R1.35 O=C1NCC(N1)C(=O)O Z1162470818 [0,0,0,1,1,0|2,0,0]=4 265 B9R1.35 O=C1NCC(O1)C(=O)O Z1203735066 [0,0,0,1,1,0|1,0,0]=3 266 B9R1.35 O=C1N[C@@H](CS1)C(=O)O Z203038562 [0,0,0,1,1,0|2,0,0]=4 267 B9R1.35 O=C1OCC(O1)C(=O)O Z1889707900 [0,0,0,1,1,0|1,0,0]=3 268 B9R1.49 O=C1CCCC(=O)NC1 Z1255404954 [0,0,0,1,1,0|2,0,0]=4 269 B9R1.53 CC(=O)CC1CC(=O)N1 Z1203732573 [0,0,0,1,1,0|2,0,0]=4 270 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Z1955831192 [0,0,0,1,1,0|1,0,0]=3 271 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Z1198723936 [0,0,0,1,1,0|0,0,0]=2 272 B9R1.161 O=C(O)[C@@H]1C[C@H]1[N+](=O)[O-] Z2309898871 [0,0,0,1,1,0|1,0,1]=4 273 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Z1955918485 [0,0,0,1,1,0|0,0,0]=2 274 B11R1.75 CC1CCC(O1)CCC(=O)O Z1262470998 [0,0,0,1,0,1|1,0,1]=4 275 B11R1.75 O=C(O)CCC1CCC(=O)N1 Z1198163513 [0,0,0,1,0,1|1,0,0]=3 276 B11R1.75 O=C(O)CCC1CNC(=O)N1 Z1262531245 [0,0,0,1,0,1|1,0,0]=3 277 B11R1.157 CC(=O)CC1CCCC(=O)N1 Z2301684556 [0,0,0,1,0,1|2,0,0]=4 278 B11R1.157 CC1CNCC(O1)CC(=O)O Z3991477375 [0,0,0,1,0,1|1,0,1]=4 279 B11R1.157 CC1COCC(O1)CC(=O)O Z5033360121 [0,0,0,1,0,1|1,0,1]=4 280 B11R1.157 C[C@@H]1CCC[C@@H](O1)CC(=O)O Z4946669801 [0,0,0,1,0,1|1,0,1]=4 281 B11R1.157 O=C(O)CC1CCCC(=O)C1 Z907709938 [0,0,0,1,0,1|1,0,0]=3 282 B11R1.157 O=C(O)CC1CCCC(=O)N1 Z1255458725 [0,0,0,1,0,1|1,0,0]=3 283 B11R1.157 O=C(O)CC1CCCC(C1)O Z1262524441 [0,0,0,1,0,1|1,0,1]=4 284 B11R1.177 O=C(O)C1CCCNS1(=O)=O Z3026726505 [0,0,0,1,0,1|1,0,1]=4 285 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O Z1078490036 [0,0,0,1,0,1|1,0,0]=3 286 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O Z85923459 [0,0,0,1,0,1|1,0,0]=3 287 B11R1.178 CC(=O)N1CSCC1C(=O)O Z316101354 [0,0,0,1,0,1|2,0,0]=4 288 B11R1.178 NC(=O)C1CNCC1C(=O)N Z2511841656 [0,0,0,1,0,1|2,0,0]=4 289 B11R1.178 NC(=O)N1CCCC1C(=O)O Z56889385 [0,0,0,1,0,1|1,0,0]=3 290 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O Z360054132 [0,0,0,1,0,1|1,0,0]=3 291 B11R1.178 O=C(O)C1=C(CCC1)C(=O)O Z1255487192 [0,0,0,1,0,1|0,0,1]=3 292 B11R1.178 O=C(O)C1CCCC1C(=O)O Z1198150630 [0,0,0,1,0,1|0,0,0]=2 293 B11R1.178 O=C(O)C1COCC1C(=O)O Z1262521635 [0,0,0,1,0,1|0,0,0]=2 294 B11R1.178 O=C(O)[C@@H]1CNC[C@H]1C(=O)O Z2307407859 [0,0,0,1,0,1|0,0,0]=2 295 B11R1.234 O=C(O)CC1CCCS1(=O)=O Z1736161208 [0,0,0,1,0,1|1,0,1]=4 296 B11R1.497 O=C1CCCCC(N1)C(=O)O Z1217989816 [0,0,0,1,0,1|1,0,0]=3 297 B11R1.710 O=C(O)CC1CCS(=O)(=O)C1 Z57162030 [0,1,0,1,0,0|1,0,1]=4 298 B11R1.730 CC1(CCCC(O1)C(=O)O)C Z1836444615 [0,1,0,1,0,0|1,0,1]=4 299 B11R1.20 O=C(O)CC1CCC(=O)CC1 Z1198235241 [0,1,0,1,0,0|1,0,0]=3 300 B11R1.20 O=C(O)CC1CCC(=O)NC1 Z1416171278 [0,1,0,1,0,0|1,0,0]=3 301 B11R1.23 COC(=O)C1CCCC(=O)C1 Z1198183330 [0,1,0,1,0,0|1,0,0]=3 302 B11R1.23 COC(=O)C1CCCC(=O)N1 Z1198314890 [0,1,0,1,0,0|1,0,0]=3 303 B11R1.23 COC(=O)C1CCCC(C1)O Z1255439712 [0,1,0,1,0,0|1,0,1]=4 304 B11R1.23 COC(=O)C1CCNC(=O)C1 Z1255401784 [0,1,0,1,0,0|2,0,0]=4 305 B11R1.39 COC(=O)CC1CCC(=O)N1 Z1198183496 [0,1,0,1,0,0|1,0,0]=3 306 B11R1.159 CN1C(=O)CCCC1C(=O)O Z1262558916 [0,1,0,1,0,0|1,0,0]=3 307 B11R1.266 COC1CCCC(C1)C(=O)O Z1192182025 [0,1,0,1,0,0|1,0,1]=4 308 B11R1.313 CN1C(=O)CCC1CC(=O)O Z1201625519 [0,1,0,1,0,0|1,0,0]=3 309 B11R1.313 C[C@H]1C(=O)CC[C@@H]1CC(=O)O Z4287087572 [0,1,0,1,0,0|1,0,0]=3 310 B11R1.565 O=C1CCC(CCO1)C(=O)O Z1216841619 [0,1,0,1,0,0|2,0,0]=4 311 B11R1.74 C[C@@H]1C[C@@H](CC(=O)N1)C(=O)O Z3779337331 [0,1,0,1,0,0|2,0,0]=4 312 B11R1.74 C[C@H]1CC(=O)N[C@H](C1)C(=O)O Z2311222788 [0,1,0,1,0,0|1,0,0]=3 313 B11R1.175 CC(=O)N1CCC(C1)C(=O)O Z1078654182 [0,1,0,1,0,0|2,0,0]=4 314 B11R1.175 NC(=O)[C@@H]1CC[C@@H](O1)C(=O)O Z1814367061 [0,1,0,1,0,0|1,0,0]=3 315 B11R1.175 O=C(O)C1CCC(C1)C(=O)O Z274502046 [0,1,0,1,0,0|0,0,0]=2 316 B11R1.175 O=C(O)C1CCC(O1)C(=O)O Z1198155989 [0,1,0,1,0,0|0,0,0]=2 317 B11R1.175 O=C(O)[C@@H]1CC[C@@H](O1)C(=O)O Z1262511442 [0,1,0,1,0,0|0,0,0]=2 318 B11R1.175 O=C(O)[C@H]1CC[C@H](C1)C(=O)O Z1954802631 [0,1,0,1,0,0|0,0,0]=2 319 B11R1.314 CC(C(=O)O)C1CCC(=O)N1 Z2255110079 [0,1,0,1,0,0|1,0,0]=3 320 B11R1.1386 CC1(CCCS1(=O)=O)C(=O)O Z1262525069 [0,1,0,1,0,0|1,0,1]=4 321 B11R2.66 O=C1C[C@@H]2CCC(=O)[C@@H]2O1 Z4417659299 [0,0,0,2,0,0|1,0,0]=3 322 B11R2.139 O=C1CC2CC(=O)CC2C1 Z1255423453 [0,0,0,2,0,0|2,0,0]=4 323 B11R2.530 O=C(O)[C@@H]1[C@@H]2[C@H]1C(=O)NC2 Z4164710568 [0,0,0,2,0,0|2,0,0]=4 324 B11R2.845 O=C(O)[C@@H]1C[C@@H]2CC[C@H]1O2 Z3301415369 [0,0,0,2,0,0|1,0,1]=4 325 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1O2 Z1197865945 [0,0,0,2,0,0|1,0,1]=4 326 B11R2.612 O=C1N[C@H]([C@@H]2[C@H]1C2)C(=O)O Z3638167617 [0,0,0,2,0,0|1,0,0]=3 327 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,0,0,0,2,0|1,0,0]=3 328 B7R0.6 CC(=O)NCC(=O)O Z85886676 [0,0,0,0,2,0|2,0,0]=4 329 B7R0.6 CC(O)CCC(=O)O Z838959470 [0,0,0,0,2,0|1,0,1]=4 330 B7R0.6 CS(=O)CCC(=O)O Z667974346 [0,0,0,0,2,0|2,0,0]=4 331 B7R0.6 NC(=O)NCC(=O)O Z57009586 [0,0,0,0,2,0|2,0,0]=4 332 B7R0.6 O=C(O)/C=C/C(=O)O Z57127460 [0,0,0,0,2,0|0,0,2]=4 333 B7R0.6 O=C(O)CCC(=O)O Z57127453 [0,0,0,0,2,0|0,0,0]=2 334 B11R0.30 CC(=O)CCCCCCC(=O)C Z1198162235 [0,0,0,0,0,2|2,0,0]=4 335 B11R0.30 CC(=O)CCCCCCC(=O)O Z1262510893 [0,0,0,0,0,2|1,0,0]=3 336 B11R0.30 CC(=O)NCCCCCC(=O)N Z68591091 [0,0,0,0,0,2|2,0,0]=4 337 B11R0.30 CC(=O)NCCCCCC(=O)O Z56914861 [0,0,0,0,0,2|1,0,0]=3 338 B11R0.30 NC(=O)NCCCCCC(=O)O Z90122369 [0,0,0,0,0,2|1,0,0]=3 339 B11R0.30 O=C(O)CCCCCCC(=O)O Z104473456 [0,0,0,0,0,2|0,0,0]=2 340 B11R0.30 O=C(O)COCCOCC(=O)O Z104477844 [0,0,0,0,0,2|0,0,0]=2