0 B9R0.47 C#CCCCC(N)C(=O)O Z3325155760 [0,0,0,0,0,0|1,0,1]=2 1 B9R0.47 C=CCCCC(N)C(=O)O Z2906280520 [0,0,0,0,0,0|1,0,1]=2 2 B9R0.47 C=CCCOC(C)C(=O)O Z362807908 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.47 CC(CSCCN)C(=O)O Z2379806326 [0,0,0,0,0,0|2,0,0]=2 4 B9R0.47 CCC/C=C/C(O)C(=O)O Z2681277218 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.47 CCCCCC(O)C(=O)O Z788000584 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.47 CCCCOC(C)C(=O)O Z409190966 [0,0,0,0,0,0|3,0,0]=3 7 B9R0.47 CCCCSC(C)C(=O)O Z149191762 [0,0,0,0,0,0|3,0,0]=3 8 B9R0.47 CCCSCC(N)C(=O)O Z444349874 [0,0,0,0,0,0|2,0,0]=2 9 B9R0.47 COCCCC(N)C(=O)O Z1428160326 [0,0,0,0,0,0|2,0,0]=2 10 B9R0.47 COCCOC(C)C(=O)O Z316259198 [0,0,0,0,0,0|4,0,0]=4 11 B9R0.47 CSCCCC(N)C(=O)O Z3274997631 [0,0,0,0,0,0|2,0,0]=2 12 B9R0.47 NCC#CCC(N)C(=O)O Z1650644415 [0,0,0,0,0,0|0,0,2]=2 13 B9R0.47 NCCCCC(N)C(=O)O Z57127389 [0,0,0,0,0,0|0,0,0]=0 14 B9R0.47 NCCCC[C@H](N)C(=O)O Z812534818 [0,0,0,0,0,0|0,0,0]=0 15 B8R0.7 C#CCCNCC(=O)O Z4916843541 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.7 C#CCCOCC(=O)O Z1205655947 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.7 C#CCOCCC(=O)O Z362807240 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.7 C=CCCOCC(=O)O Z362807886 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.7 C=CCNCCC(=O)O Z3388124649 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.7 CC#CCCCC(=O)O Z1205494323 [1,0,0,0,0,0|1,0,2]=4 21 B8R0.7 CC(=O)CCCCC#N Z2350907379 [1,0,0,0,0,0|1,0,2]=4 22 B8R0.7 CC(=O)NCCCCN Z600498842 [1,0,0,0,0,0|2,0,0]=3 23 B8R0.7 CCCCCCC(=N)N Z4088236340 [1,0,0,0,0,0|3,0,0]=4 24 B8R0.7 CCCCCCC(=O)O Z104474412 [1,0,0,0,0,0|1,0,0]=2 25 B8R0.7 CCCCNCC(=O)N Z398513412 [1,0,0,0,0,0|3,0,0]=4 26 B8R0.7 CCCCOCC(=O)O Z409190912 [1,0,0,0,0,0|2,0,0]=3 27 B8R0.7 CCCCSCC(=O)O Z239951532 [1,0,0,0,0,0|2,0,0]=3 28 B8R0.7 CCCNCCC(=O)O Z2944330072 [1,0,0,0,0,0|2,0,0]=3 29 B8R0.7 CCNCCCC(=O)O Z2937339976 [1,0,0,0,0,0|2,0,0]=3 30 B8R0.7 CCOCCCC(=O)O Z316258950 [1,0,0,0,0,0|2,0,0]=3 31 B8R0.7 CN(C)CCCCCN Z3247604067 [1,0,0,0,0,0|3,0,0]=4 32 B8R0.7 CNCCCCC(=O)O Z3034937142 [1,0,0,0,0,0|2,0,0]=3 33 B8R0.7 COCCCCC(=O)O Z362633826 [1,0,0,0,0,0|2,0,0]=3 34 B8R0.7 COCCNCC(=O)O Z1276446903 [1,0,0,0,0,0|3,0,0]=4 35 B8R0.7 COCCOCC(=O)O Z104477918 [1,0,0,0,0,0|3,0,0]=4 36 B8R0.7 COCCSCC(=O)O Z167837764 [1,0,0,0,0,0|3,0,0]=4 37 B8R0.7 CSCCCCC(=O)O Z732206636 [1,0,0,0,0,0|2,0,0]=3 38 B8R0.7 CSCCNCC(=O)O Z2512524162 [1,0,0,0,0,0|3,0,0]=4 39 B8R0.7 N#CCCSCC(=O)O Z1205494587 [1,0,0,0,0,0|1,0,2]=4 40 B8R0.7 N=C(N)NCCCCN Z2472857139 [1,0,0,0,0,0|3,0,0]=4 41 B8R0.7 N=C(N)SCCCCN Z4741653362 [1,0,0,0,0,0|3,0,0]=4 42 B8R0.7 NCCCCCC(=O)O Z1272730910 [1,0,0,0,0,0|0,0,0]=1 43 B8R0.7 NCCCOCC(=O)O Z3178895188 [1,0,0,0,0,0|1,0,0]=2 44 B8R0.7 NCCOCCC(=O)O Z1262546494 [1,0,0,0,0,0|1,0,0]=2 45 B8R0.7 O=C(O)CCCCCBr Z104477716 [1,0,0,0,0,0|1,0,0]=2 46 B8R0.7 O=C(O)CCCCCF Z1205494157 [1,0,0,0,0,0|1,0,0]=2 47 B8R0.7 O=C(O)CCNCCO Z53116574 [1,0,0,0,0,0|2,0,0]=3 48 B8R0.7 O=C([O-])CNCCCO Z5147896273 [1,0,0,0,0,0|2,0,1]=4 49 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [1,0,0,0,0,0|0,0,2]=3 50 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [1,0,0,0,0,0|0,0,2]=3 51 B8R0.8 CC#CCC(N)C(=O)O Z1691545116 [1,0,0,0,0,0|0,0,2]=3 52 B8R0.8 CC(=O)N(C)CCCN Z319974634 [1,0,0,0,0,0|3,0,0]=4 53 B8R0.8 CCCCC(C)C(=O)C Z727719632 [1,0,0,0,0,0|2,0,0]=3 54 B8R0.8 CCCCC(C)C(=O)O Z756390480 [1,0,0,0,0,0|1,0,0]=2 55 B8R0.8 CCCCC(N)C(=O)O Z57127434 [1,0,0,0,0,0|0,0,0]=1 56 B8R0.8 CCCCC(N)C(C)O Z2453175125 [1,0,0,0,0,0|1,0,1]=3 57 B8R0.8 CCCCC(O)C(=O)O Z803065156 [1,0,0,0,0,0|1,0,0]=2 58 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [1,0,0,0,0,0|0,0,0]=1 59 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [1,0,0,0,0,0|0,0,0]=1 60 B8R0.8 CCOCC(C)C(=O)O Z431541098 [1,0,0,0,0,0|2,0,0]=3 61 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [1,0,0,0,0,0|1,0,0]=2 62 B8R0.8 COCCC(C)C(=O)O Z756390554 [1,0,0,0,0,0|2,0,0]=3 63 B8R0.8 COCCC(N)C(=O)O Z317025018 [1,0,0,0,0,0|1,0,0]=2 64 B8R0.8 CSCCC(N)C(=O)O Z57127440 [1,0,0,0,0,0|1,0,0]=2 65 B8R0.8 CSCCC(O)C(=O)O Z788000926 [1,0,0,0,0,0|2,0,0]=3 66 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [1,0,0,0,0,0|1,0,0]=2 67 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [1,0,0,0,0,0|1,0,0]=2 68 B8R0.8 N#CCCC(N)C(=O)N Z4876440061 [1,0,0,0,0,0|1,0,2]=4 69 B8R0.8 NCCCC(N)C(=O)O Z104476736 [1,0,0,0,0,0|0,0,0]=1 70 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [1,0,0,0,0,0|0,0,0]=1 71 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [1,0,0,0,0,0|0,0,0]=1 72 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [1,0,0,0,0,0|1,0,0]=2 73 B8R0.8 O=C([O-])C(O)CCCO Z2510259022 [1,0,0,0,0,0|2,0,1]=4 74 B10R0.26 CCCC(C)CC(N)C(=O)O Z970064328 [0,1,0,0,0,0|1,0,0]=2 75 B10R0.42 CCCCCC(C)(C)C(=O)O Z995179614 [0,1,0,0,0,0|2,0,0]=3 76 B10R0.75 CCCCCCC(C)C(=O)O Z756390482 [0,1,0,0,0,0|2,0,0]=3 77 B10R0.75 CCOCCOC(C)C(=O)O Z316258976 [0,1,0,0,0,0|3,0,0]=4 78 B10R0.75 NCCCSCC(N)C(=O)O Z2065464260 [0,1,0,0,0,0|0,0,0]=1 79 B10R0.75 N[C@@H](CSSCCO)C(=O)O Z1198169002 [0,1,0,0,0,0|2,0,0]=3 80 B10R0.81 CCCCC(N)C(O)C(=O)O Z1238572379 [0,1,0,0,0,0|2,0,0]=3 81 B10R0.82 CCC(N)COC(C)C(=O)O Z5122110101 [0,1,0,0,0,0|3,0,0]=4 82 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O Z1198152810 [0,1,0,0,0,0|2,0,1]=4 83 B10R0.82 COC(=O)CC[C@H](N)C(=O)O Z1741982704 [0,1,0,0,0,0|2,0,1]=4 84 B10R0.83 CCCCCC(N)C(=O)OC Z1398461596 [0,1,0,0,0,0|1,0,0]=2 85 B10R0.83 CCCCCC(O)C(=O)OC Z965047444 [0,1,0,0,0,0|2,0,0]=3 86 B10R0.86 CCCCCC(CC)C(=O)O Z756391304 [0,1,0,0,0,0|2,0,0]=3 87 B10R0.98 CC(C)CCCC(N)C(=O)O Z2855996233 [0,1,0,0,0,0|1,0,0]=2 88 B10R0.98 CC(C)CCOC(C)C(=O)O Z316259086 [0,1,0,0,0,0|3,0,0]=4 89 B10R0.98 CC(N)CCCC(C)C(=O)O Z1258848487 [0,1,0,0,0,0|1,0,0]=2 90 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Z1222399234 [0,1,0,0,0,0|2,0,1]=4 91 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O Z1255486317 [0,1,0,0,0,0|1,0,1]=3 92 B10R1.23 CC(C(=O)O)C1=CCCC1 Z1205494118 [0,0,0,1,0,0|2,0,1]=4 93 B10R1.23 CC(C(=O)O)C1CCCC1 Z993955140 [0,0,0,1,0,0|2,0,0]=3 94 B10R1.23 CC(C(=O)O)N1CCCC1 Z1459956121 [0,0,0,1,0,0|3,0,0]=4 95 B10R1.23 NC(C(=O)O)C1CCCC1 Z1259162146 [0,0,0,1,0,0|1,0,0]=2 96 B10R1.23 O=C(O)C(O)C1CCCC1 Z941196766 [0,0,0,1,0,0|2,0,0]=3 97 B10R1.23 O=C(O)C(O)C1CCNC1 Z1203819582 [0,0,0,1,0,0|3,0,0]=4 98 B10R1.31 C#C[C@H]1CC[C@H](N1)C(=O)O Z5870110869 [0,0,0,1,0,0|1,0,1]=3 99 B10R1.31 CC(=O)N1CCC(C1)CN Z2108810043 [0,0,0,1,0,0|3,0,0]=4 100 B10R1.31 CCC1CCC(N1)C(=O)O Z2417581629 [0,0,0,1,0,0|1,0,0]=2 101 B10R1.31 CCC1CCC(O1)C(=O)O Z1389029400 [0,0,0,1,0,0|2,0,0]=3 102 B10R1.31 CCN1CCC(C1)C(=O)O Z1459883437 [0,0,0,1,0,0|3,0,0]=4 103 B10R1.31 CC[C@@H]1CN[C@@H](C1)C(=O)O Z3490158686 [0,0,0,1,0,0|3,0,0]=4 104 B10R1.31 COC1CCC(C1)C(=O)O Z1509041249 [0,0,0,1,0,0|3,0,0]=4 105 B10R1.31 NCC1CCC(O1)C(=O)N Z1416203149 [0,0,0,1,0,0|2,0,0]=3 106 B10R1.31 NCC1CCN(C1)C(=O)N Z2065788156 [0,0,0,1,0,0|3,0,0]=4 107 B10R1.31 NC[C@@H]1CC[C@@H](O1)C(=O)O Z2568677836 [0,0,0,1,0,0|1,0,0]=2 108 B10R1.93 CCOC1CC(C1)C(=O)O Z1813144098 [0,0,0,1,0,0|3,0,0]=4 109 B10R1.113 CC1CC(CCO1)C(=O)O Z1192344104 [0,0,0,1,0,0|3,0,0]=4 110 B10R1.113 CC1CC(CCS1)C(=O)O Z3242951587 [0,0,0,1,0,0|3,0,0]=4 111 B10R1.113 CC1CCCC(C1)C(=O)O Z792377174 [0,0,0,1,0,0|2,0,0]=3 112 B10R1.113 CC1CCCC(O1)C(=O)O Z1205497461 [0,0,0,1,0,0|2,0,0]=3 113 B10R1.113 CC1CCNC(C1)C(=O)O Z1278581703 [0,0,0,1,0,0|3,0,0]=4 114 B10R1.113 CC1COCC(N1)C(=O)O Z1723418910 [0,0,0,1,0,0|2,0,0]=3 115 B10R1.113 CN1CCCC(C1)C(=O)O Z752370754 [0,0,0,1,0,0|3,0,0]=4 116 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O Z2471603588 [0,0,0,1,0,0|1,0,0]=2 117 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O Z3021480604 [0,0,0,1,0,0|3,0,0]=4 118 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O Z2688982174 [0,0,0,1,0,0|3,0,0]=4 119 B10R1.113 C[C@H]1COC[C@H](N1)C(=O)N Z2379579403 [0,0,0,1,0,0|3,0,0]=4 120 B10R1.113 NC1CCCC(C1)C(=O)O Z979485684 [0,0,0,1,0,0|1,0,0]=2 121 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O Z2309783249 [0,0,0,1,0,0|1,0,0]=2 122 B10R1.113 N[C@H]1C=CC[C@@H](C1)C(=O)O Z2785908692 [0,0,0,1,0,0|1,0,2]=4 123 B10R1.113 O=C(O)C1CCCC(C1)F Z2066862889 [0,0,0,1,0,0|2,0,0]=3 124 B10R1.113 O=C(O)C1CCCC(C1)O Z1205494896 [0,0,0,1,0,0|2,0,0]=3 125 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O Z1198182319 [0,0,0,1,0,0|1,0,1]=3 126 B10R1.113 O=C1CSCC(N1)C(=O)O Z359515788 [0,0,0,1,0,0|2,0,1]=4 127 B10R1.113 O=C1NC(CCO1)C(=O)O Z1509031012 [0,0,0,1,0,0|2,0,1]=4 128 B10R1.176 CN1CCC(CC1=O)CN Z2362330040 [0,0,0,1,0,0|3,0,0]=4 129 B10R1.204 NC(CC1CCC1)C(=O)O Z2306604307 [0,0,0,1,0,0|1,0,0]=2 130 B10R1.205 CC(OCC1CC1)C(=O)O Z332379292 [0,0,0,1,0,0|3,0,0]=4 131 B10R1.277 CC1CCCC(C(=O)N1)C Z1203747900 [0,0,0,1,0,0|3,0,0]=4 132 B10R1.291 CC1CCCC1(C)C(=O)O Z1205495850 [0,0,0,1,0,0|2,0,0]=3 133 B10R1.291 CC1CCCC1(N)C(=O)N Z1258614045 [0,0,0,1,0,0|2,0,0]=3 134 B10R1.291 CC1CCCC1(N)C(=O)O Z3037488514 [0,0,0,1,0,0|1,0,0]=2 135 B10R1.291 CC1OCCC1(C)C(=O)O Z1643426568 [0,0,0,1,0,0|3,0,0]=4 136 B10R1.291 C[C@@H]1CNC[C@@]1(C)C(=O)O Z3036775390 [0,0,0,1,0,0|3,0,0]=4 137 B10R1.291 O=C(O)[C@@]1(CNC[C@H]1O)O Z5064709371 [0,0,0,1,0,0|3,0,0]=4 138 B10R1.348 CC(=O)C1CCCCCC1 Z1255452291 [0,0,0,1,0,0|3,0,0]=4 139 B10R1.348 O=C(O)C1CCCCCN1 Z1250132361 [0,0,0,1,0,0|1,0,0]=2 140 B10R1.348 O=C(O)C1CCCCNC1 Z2310702448 [0,0,0,1,0,0|1,0,0]=2 141 B10R1.348 O=C(O)C1CCCOCC1 Z1258684735 [0,0,0,1,0,0|3,0,0]=4 142 B10R1.348 O=C(O)C1CNCCCN1 Z2044769174 [0,0,0,1,0,0|2,0,0]=3 143 B10R1.363 CC(=O)C1(CCCCC1)N Z2106606026 [0,0,0,1,0,0|2,0,0]=3 144 B10R1.363 CC1(C=CCCC1)C(=O)O Z1205494611 [0,0,0,1,0,0|2,0,1]=4 145 B10R1.363 CC1(C=CCCN1)C(=O)O Z4648131040 [0,0,0,1,0,0|1,0,2]=4 146 B10R1.363 CC1(CCCCC1)C(=O)O Z995180964 [0,0,0,1,0,0|2,0,0]=3 147 B10R1.363 CC1(CCCCN1)C(=O)N Z1635388032 [0,0,0,1,0,0|2,0,0]=3 148 B10R1.363 CC1(CCCCN1)C(=O)O Z1623864156 [0,0,0,1,0,0|1,0,0]=2 149 B10R1.363 CC1(CCCCO1)C(=O)O Z1198235237 [0,0,0,1,0,0|2,0,0]=3 150 B10R1.363 CC1(CCCNC1)C(=O)O Z1262691675 [0,0,0,1,0,0|3,0,0]=4 151 B10R1.363 CC1(CCCOC1)C(=O)O Z1079130408 [0,0,0,1,0,0|3,0,0]=4 152 B10R1.363 CC1(CCNCC1)C(=O)O Z1642389877 [0,0,0,1,0,0|3,0,0]=4 153 B10R1.363 CC1(CCOCC1)C(=O)O Z992920340 [0,0,0,1,0,0|3,0,0]=4 154 B10R1.363 CC1(CCSCC1)C(=O)O Z1255441874 [0,0,0,1,0,0|3,0,0]=4 155 B10R1.363 CC1(CNCCN1)C(=O)O Z5392656375 [0,0,0,1,0,0|2,0,0]=3 156 B10R1.363 CC1(SCCCS1)C(=O)O Z1262514536 [0,0,0,1,0,0|3,0,0]=4 157 B10R1.363 NC(=O)C1(CCCCC1)N Z426041556 [0,0,0,1,0,0|2,0,0]=3 158 B10R1.363 NC(=O)C1(CCCCC1)O Z965048712 [0,0,0,1,0,0|3,0,0]=4 159 B10R1.363 NC(=O)C1(CCCNC1)N Z3172933410 [0,0,0,1,0,0|3,0,0]=4 160 B10R1.363 NC(=O)C1(CCNCC1)N Z3325154854 [0,0,0,1,0,0|3,0,0]=4 161 B10R1.363 NC(=O)C1(CCOCC1)N Z477337618 [0,0,0,1,0,0|3,0,0]=4 162 B10R1.363 NC1(CCCNC1)C(=O)O Z2509346558 [0,0,0,1,0,0|2,0,0]=3 163 B10R1.363 NC1(CCCOC1)C(=O)O Z3719007739 [0,0,0,1,0,0|2,0,0]=3 164 B10R1.363 NC1(CCCSC1)C(=O)O Z1029463938 [0,0,0,1,0,0|2,0,0]=3 165 B10R1.363 NC1(CCNCC1)C(=O)O Z1255490001 [0,0,0,1,0,0|2,0,0]=3 166 B10R1.363 NC1(CCOCC1)C(=O)O Z440604890 [0,0,0,1,0,0|2,0,0]=3 167 B10R1.363 NC1(CCSCC1)C(=O)O Z802893750 [0,0,0,1,0,0|2,0,0]=3 168 B10R1.363 O=C(O)C1(CCCCC1)O Z220542624 [0,0,0,1,0,0|2,0,0]=3 169 B10R1.363 O=C(O)C1(CCCNC1)O Z2738500676 [0,0,0,1,0,0|3,0,0]=4 170 B10R1.363 O=C(O)C1(CCCOC1)F Z3243070298 [0,0,0,1,0,0|3,0,0]=4 171 B10R1.363 O=C(O)C1(CCNCC1)F Z3234885472 [0,0,0,1,0,0|3,0,0]=4 172 B10R1.363 O=C(O)C1(CCOCC1)F Z1255373743 [0,0,0,1,0,0|3,0,0]=4 173 B10R1.363 O=C(O)C1(CCOCC1)O Z788000910 [0,0,0,1,0,0|3,0,0]=4 174 B10R1.363 O=C(O)C1(CCSCC1)O Z803080616 [0,0,0,1,0,0|3,0,0]=4 175 B10R0.6 CCCCCC(C)CC(=O)O Z1198151370 [0,0,0,0,0,1|2,0,0]=3 176 B10R0.6 CCCCCC(O)CC(=O)O Z982131990 [0,0,0,0,0,1|2,0,0]=3 177 B7R0.1 CCCCCCCO Z104473596 [2,0,0,0,0,0|1,0,1]=4 178 B7R0.1 CNCCCCCN Z4097840720 [2,0,0,0,0,0|2,0,0]=4 179 B7R0.1 COCCCCCN Z608347192 [2,0,0,0,0,0|2,0,0]=4 180 B7R0.1 CSCCCCCN Z823285026 [2,0,0,0,0,0|2,0,0]=4 181 B7R0.1 NCCCCCCN Z104473514 [2,0,0,0,0,0|1,0,1]=4 182 B7R0.1 NCCOCCCO Z2044949087 [2,0,0,0,0,0|1,0,1]=4 183 B7R0.1 NCCSCCCO Z406685362 [2,0,0,0,0,0|1,0,1]=4 184 B7R0.1 OCCCCCCBr Z1255398867 [2,0,0,0,0,0|1,0,1]=4 185 B7R0.1 OCCCCCCO Z104473540 [2,0,0,0,0,0|1,0,1]=4 186 B7R0.3 CCCCC(N)CC Z3303777618 [2,0,0,0,0,0|1,0,1]=4 187 B7R0.3 CCCCC(N)CN Z756921038 [2,0,0,0,0,0|1,0,1]=4 188 B7R0.4 C=CCCCC(=O)O Z1205493561 [2,0,0,0,0,0|0,0,2]=4 189 B7R0.4 CC#CCCC(=O)O Z1205493674 [2,0,0,0,0,0|0,0,2]=4 190 B7R0.4 CC(=O)NCCCN Z295405102 [2,0,0,0,0,0|2,0,0]=4 191 B7R0.4 CC(C)CCCCN Z1250132304 [2,0,0,0,0,0|1,0,1]=4 192 B7R0.4 CC(N)CCCCN Z2186882580 [2,0,0,0,0,0|0,0,1]=3 193 B7R0.4 CC(N)CCCCO Z2234185667 [2,0,0,0,0,0|1,0,1]=4 194 B7R0.4 CCC/C=C/C(=O)O Z104506794 [2,0,0,0,0,0|0,0,2]=4 195 B7R0.4 CCCCCC(=N)N Z3490473907 [2,0,0,0,0,0|2,0,0]=4 196 B7R0.4 CCCCCC(=O)O Z104503532 [2,0,0,0,0,0|0,0,0]=2 197 B7R0.4 CCCCCC(C)N Z104495176 [2,0,0,0,0,0|1,0,1]=4 198 B7R0.4 CCCCOC(=O)N Z104476286 [2,0,0,0,0,0|2,0,0]=4 199 B7R0.4 CCCNCC(=O)N Z2211231296 [2,0,0,0,0,0|2,0,0]=4 200 B7R0.4 CCCNCC(=O)O Z744582718 [2,0,0,0,0,0|1,0,0]=3 201 B7R0.4 CCCOCC(=O)O Z406677750 [2,0,0,0,0,0|1,0,0]=3 202 B7R0.4 CCCSCC(=O)C Z447929234 [2,0,0,0,0,0|2,0,0]=4 203 B7R0.4 CCCSCC(=O)O Z228425458 [2,0,0,0,0,0|1,0,0]=3 204 B7R0.4 CCNCCC(=O)N Z2681234913 [2,0,0,0,0,0|2,0,0]=4 205 B7R0.4 CCNCCC(=O)O Z1869802098 [2,0,0,0,0,0|1,0,0]=3 206 B7R0.4 CCOCCC(=O)O Z316258938 [2,0,0,0,0,0|1,0,0]=3 207 B7R0.4 CCSCCC(=O)O Z197206046 [2,0,0,0,0,0|1,0,0]=3 208 B7R0.4 CNCCCC(=O)O Z57043473 [2,0,0,0,0,0|1,0,0]=3 209 B7R0.4 COCCCC(=O)C Z406376722 [2,0,0,0,0,0|2,0,0]=4 210 B7R0.4 COCCCC(=O)O Z316258912 [2,0,0,0,0,0|1,0,0]=3 211 B7R0.4 CSCCCC(=O)O Z54602911 [2,0,0,0,0,0|1,0,0]=3 212 B7R0.4 N#CCCCC(=O)O Z1198152304 [2,0,0,0,0,0|0,0,2]=4 213 B7R0.4 NCCCCC(=O)N Z1639630947 [2,0,0,0,0,0|0,0,1]=3 214 B7R0.4 NCCCCC(=O)O Z271111992 [2,0,0,0,0,0|0,0,0]=2 215 B7R0.4 NCCCCC(F)F Z4580667156 [2,0,0,0,0,0|2,0,0]=4 216 B7R0.4 NCCCOC(=O)N Z3337481796 [2,0,0,0,0,0|1,0,1]=4 217 B7R0.4 NCCNCC(=O)O Z2692249907 [2,0,0,0,0,0|1,0,0]=3 218 B7R0.4 NCCOCC(=O)N Z1428158847 [2,0,0,0,0,0|1,0,1]=4 219 B7R0.4 NCCOCC(=O)O Z1650039500 [2,0,0,0,0,0|1,0,0]=3 220 B7R0.4 NCCSCC(=O)O Z1381287295 [2,0,0,0,0,0|1,0,0]=3 221 B7R0.4 O=C(O)CCCCBr Z104479696 [2,0,0,0,0,0|1,0,0]=3 222 B7R0.4 O=C(O)CCCCS Z808230828 [2,0,0,0,0,0|1,0,0]=3 223 B7R0.4 O=C(O)CNCCO Z425411352 [2,0,0,0,0,0|2,0,0]=4 224 B7R0.4 O=C([O-])CCCCO Z2335631573 [2,0,0,0,0,0|1,0,1]=4 225 B7R0.5 C=CCC(N)C(=O)O Z317024964 [2,0,0,0,0,0|0,0,2]=4 226 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [2,0,0,0,0,0|0,0,2]=4 227 B7R0.5 CC(CCN)C(=O)O Z2298167292 [2,0,0,0,0,0|1,0,0]=3 228 B7R0.5 CCCC(C)C(=O)O Z104477112 [2,0,0,0,0,0|1,0,0]=3 229 B7R0.5 CCCC(N)C(=O)O Z317024724 [2,0,0,0,0,0|0,0,0]=2 230 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [2,0,0,0,0,0|0,0,0]=2 231 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [2,0,0,0,0,0|0,0,0]=2 232 B7R0.5 CCNC(C)C(=O)O Z3181996310 [2,0,0,0,0,0|2,0,0]=4 233 B7R0.5 CCOC(C)C(=O)O Z316258934 [2,0,0,0,0,0|2,0,0]=4 234 B7R0.5 CNCC(C)C(=O)O Z1270387301 [2,0,0,0,0,0|2,0,0]=4 235 B7R0.5 COCC(C)C(=O)O Z431541094 [2,0,0,0,0,0|2,0,0]=4 236 B7R0.5 COCC(N)C(=O)O Z1613478163 [2,0,0,0,0,0|1,0,0]=3 237 B7R0.5 CSCC(C)C(=O)O Z732206684 [2,0,0,0,0,0|2,0,0]=4 238 B7R0.5 CSCC(N)C(=O)O Z317025996 [2,0,0,0,0,0|1,0,0]=3 239 B7R0.5 NC(CCF)C(=O)O Z2470036329 [2,0,0,0,0,0|1,0,0]=3 240 B7R0.5 NC(CCO)C(=O)O Z234896487 [2,0,0,0,0,0|1,0,0]=3 241 B7R0.5 NCCC(F)C(=O)O Z3235903750 [2,0,0,0,0,0|1,0,0]=3 242 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [2,0,0,0,0,0|0,0,0]=2 243 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [2,0,0,0,0,0|1,0,0]=3 244 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [2,0,0,0,0,0|1,0,0]=3 245 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [2,0,0,0,0,0|1,0,0]=3 246 B9R0.2 C#CCCCCCC(=O)O Z1205493707 [1,1,0,0,0,0|1,0,0]=3 247 B9R0.2 C=CCOCCCC(=O)O Z362807808 [1,1,0,0,0,0|1,0,1]=4 248 B9R0.2 CCCCCCCC(=O)O Z104495238 [1,1,0,0,0,0|1,0,0]=3 249 B9R0.2 CCCCCNCC(=O)N Z104536260 [1,1,0,0,0,0|2,0,0]=4 250 B9R0.2 CCCCCOCC(=O)O Z409357548 [1,1,0,0,0,0|1,0,0]=3 251 B9R0.2 CCCCSCCC(=O)O Z149304844 [1,1,0,0,0,0|1,0,0]=3 252 B9R0.2 CCNCCCCC(=O)O Z2893830564 [1,1,0,0,0,0|1,0,0]=3 253 B9R0.2 CCOCCOCC(=O)O Z316258972 [1,1,0,0,0,0|2,0,0]=4 254 B9R0.2 COCCNCCC(=O)O Z53116030 [1,1,0,0,0,0|2,0,0]=4 255 B9R0.2 COCCOCCC(=O)O Z316259200 [1,1,0,0,0,0|2,0,0]=4 256 B9R0.2 NCCCCCCC(=O)O Z56896351 [1,1,0,0,0,0|0,0,0]=2 257 B9R0.2 NCCOCCCC(=O)O Z5080450038 [1,1,0,0,0,0|0,0,0]=2 258 B9R0.2 O=C(O)CCNCCCO Z53116999 [1,1,0,0,0,0|1,0,0]=3 259 B9R0.4 CC(CC(=O)O)NCCO Z431539096 [1,1,0,0,0,0|2,0,0]=4 260 B9R0.38 CS(=O)(=O)CCCCCN Z1723549314 [1,1,0,0,0,0|1,0,1]=4 261 B9R0.48 CCCN(C)CCC(=O)O Z1259273124 [1,1,0,0,0,0|2,0,0]=4 262 B9R0.48 CN(CCO)CCC(=O)O Z53116523 [1,1,0,0,0,0|2,0,0]=4 263 B9R0.48 NCCC(=O)NCC(=O)O Z1901071297 [1,1,0,0,0,0|1,0,1]=4 264 B9R0.55 CC(C)CCCCC(=O)O Z1198148498 [1,1,0,0,0,0|1,0,0]=3 265 B9R0.55 CC(C)CCOCC(=O)O Z316259082 [1,1,0,0,0,0|2,0,0]=4 266 B9R0.55 CC(C)CCSCC(=O)O Z228589154 [1,1,0,0,0,0|2,0,0]=4 267 B9R0.55 CC(C)CNCCC(=O)O Z594038396 [1,1,0,0,0,0|2,0,0]=4 268 B9R0.55 CC(C)COCCC(=O)O Z316259216 [1,1,0,0,0,0|2,0,0]=4 269 B9R0.55 CC(C)CSCCC(=O)O Z54708723 [1,1,0,0,0,0|2,0,0]=4 270 B9R0.55 CC(C)NCCCC(=O)O Z235348217 [1,1,0,0,0,0|2,0,0]=4 271 B9R0.55 CC(C)OCCCC(=O)O Z316259254 [1,1,0,0,0,0|2,0,0]=4 272 B9R0.55 CC(N)CCCCC(=O)O Z1276446933 [1,1,0,0,0,0|0,0,0]=2 273 B9R0.55 CN(C)CCCCC(=O)O Z1259273153 [1,1,0,0,0,0|2,0,0]=4 274 B9R0.55 NC(=O)CCCCC(=O)O Z429601664 [1,1,0,0,0,0|0,0,1]=3 275 B9R0.55 NC(=O)CSCCC(=O)O Z17834964 [1,1,0,0,0,0|1,0,1]=4 276 B9R0.55 NC(=O)NCCCC(=O)O Z56912008 [1,1,0,0,0,0|1,0,1]=4 277 B9R0.55 O=C(O)CCCCC(=O)O Z57127533 [1,1,0,0,0,0|1,0,1]=4 278 B9R0.55 O=C(O)CCOCC(F)F Z1375308185 [1,1,0,0,0,0|2,0,0]=4 279 B9R0.6 CCCC(C)C(N)C(=O)O Z905051876 [1,1,0,0,0,0|0,0,0]=2 280 B9R0.6 COCC(C)C(C)C(=O)O Z1321942658 [1,1,0,0,0,0|2,0,0]=4 281 B9R0.7 CC(=CCC(N)C(=O)O)C Z317024968 [1,1,0,0,0,0|0,0,2]=4 282 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [1,1,0,0,0,0|0,0,1]=3 283 B9R0.7 CC(C)CCC(N)C(=O)O Z1259339953 [1,1,0,0,0,0|0,0,0]=2 284 B9R0.7 CC(C)COC(C)C(=O)O Z316259214 [1,1,0,0,0,0|2,0,0]=4 285 B9R0.7 CC(CCN(C)C)C(=O)O Z2754060676 [1,1,0,0,0,0|2,0,0]=4 286 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [1,1,0,0,0,0|1,0,0]=3 287 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [1,1,0,0,0,0|0,0,1]=3 288 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [1,1,0,0,0,0|0,0,1]=3 289 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [1,1,0,0,0,0|0,0,1]=3 290 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [1,1,0,0,0,0|1,0,1]=4 291 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [1,1,0,0,0,0|1,0,1]=4 292 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [1,1,0,0,0,0|1,0,1]=4 293 B9R0.13 CCC(CCOC)C(=O)O Z756391352 [1,1,0,0,0,0|2,0,0]=4 294 B9R0.13 CCCCC(CC)C(=O)N Z394696486 [1,1,0,0,0,0|2,0,0]=4 295 B9R0.13 CCCCC(CC)C(=O)O Z104478072 [1,1,0,0,0,0|1,0,0]=3 296 B9R0.13 COC(CCSC)C(=O)O Z1592680734 [1,1,0,0,0,0|2,0,0]=4 297 B9R0.42 CCC(=O)CC(N)C(=O)O Z1820077230 [1,1,0,0,0,0|0,0,1]=3 298 B9R0.42 CCC(C)CC(N)C(=O)O Z2306603552 [1,1,0,0,0,0|0,0,0]=2 299 B9R0.42 COC(=O)C[C@H](N)C(=O)O Z1079458540 [1,1,0,0,0,0|1,0,1]=4 300 B9R0.42 O=C(O)C(O)CC(O)CO Z1262514590 [1,1,0,0,0,0|2,0,0]=4 301 B9R0.51 CC(C)(CCCN)C(=O)O Z1516115695 [1,1,0,0,0,0|1,0,0]=3 302 B9R0.51 CCCCC(C)(F)C(=O)O Z1508949719 [1,1,0,0,0,0|1,0,0]=3 303 B9R0.51 COCCC(C)(C)C(=O)O Z995179662 [1,1,0,0,0,0|2,0,0]=4 304 B11R0.2 CCCCCCC(C)CC(=O)O Z362824108 [0,1,0,0,0,1|2,0,0]=4 305 B11R0.163 CCCCS(=O)C[C@H](N)C(=O)O Z1198151261 [0,2,0,0,0,0|1,0,0]=3 306 B11R0.125 CCCCCCC(C)(N)C(=O)O Z362825342 [0,2,0,0,0,0|1,0,0]=3 307 B11R0.202 CN(C)CCCC(C)(N)C(=O)O Z2418411247 [0,2,0,0,0,0|2,0,0]=4 308 B11R0.329 CCCCCC(C)(CC)C(=O)O Z995182188 [0,2,0,0,0,0|2,0,0]=4 309 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O Z3661982306 [0,2,0,0,0,0|1,0,1]=4 310 B11R0.29 N=C(N)NCCCC(N)C(=O)O Z56896349 [0,2,0,0,0,0|0,0,1]=3 311 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Z1201618596 [0,2,0,0,0,0|0,0,1]=3 312 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O Z1143220275 [0,2,0,0,0,0|0,0,1]=3 313 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O Z1255438848 [0,2,0,0,0,0|0,0,1]=3 314 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O Z1198149761 [0,2,0,0,0,0|0,0,1]=3 315 B11R0.42 C#CCCCCCC(N)C(=O)O Z4920921873 [0,2,0,0,0,0|1,0,0]=3 316 B11R0.42 CCOCCNCC(C)C(=O)O Z1270387257 [0,2,0,0,0,0|2,0,0]=4 317 B11R0.76 CCCCCCC(CC)C(=O)O Z756391282 [0,2,0,0,0,0|2,0,0]=4 318 B11R0.76 CCCCCCC(NC)C(=O)O Z446011802 [0,2,0,0,0,0|1,0,0]=3 319 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O Z1741979091 [0,2,0,0,0,0|1,0,1]=4 320 B11R0.78 CCCC(CCCCN)C(=O)O Z1993522747 [0,2,0,0,0,0|1,0,0]=3 321 B11R0.153 CCCCCC(C(=O)O)C(C)C Z756391622 [0,2,0,0,0,0|2,0,0]=4 322 B9R1.1 C[C@@H]1CC[C@H](OC1)CN Z3770977955 [1,0,0,1,0,0|1,0,1]=4 323 B9R1.2 C=C[C@@H]1CCC[C@H](C1)N Z3071811850 [1,0,0,1,0,0|2,0,0]=4 324 B9R1.2 CC1CCCC(C1)C=O Z1217182161 [1,0,0,1,0,0|2,0,0]=4 325 B9R1.2 C[C@@H]1CCC[C@@H](N1)CO Z2738355370 [1,0,0,1,0,0|1,0,1]=4 326 B9R1.2 O=CC1CCCC(C1)F Z1813182338 [1,0,0,1,0,0|2,0,0]=4 327 B9R1.3 CN1CCCC(C1=O)N Z1203581592 [1,0,0,1,0,0|2,0,0]=4 328 B9R1.3 NC1CCCN(C1=O)O Z1203581684 [1,0,0,1,0,0|2,0,0]=4 329 B9R1.3 N[C@@H]1CCC[C@H]([C@H]1O)O Z4497061557 [1,0,0,1,0,0|1,0,1]=4 330 B9R1.5 CC1CCCCNC1=O Z1198181151 [1,0,0,1,0,0|1,0,0]=3 331 B9R1.5 CC1NCCCNC1=O Z1203829873 [1,0,0,1,0,0|2,0,0]=4 332 B9R1.5 NC1CCCCCC1=O Z2213893401 [1,0,0,1,0,0|1,0,0]=3 333 B9R1.5 NC1CCCCNC1=O Z281895050 [1,0,0,1,0,0|0,0,0]=2 334 B9R1.5 N[C@@H]1CCCCC[C@H]1O Z1198180675 [1,0,0,1,0,0|1,0,1]=4 335 B9R1.5 O=C1CCCCCC1Cl Z223607164 [1,0,0,1,0,0|2,0,0]=4 336 B9R1.5 O=C1NCCCCC1Br Z220343714 [1,0,0,1,0,0|1,0,0]=3 337 B9R1.11 CC(C=O)C1CCCC1 Z1268606342 [1,0,0,1,0,0|2,0,0]=4 338 B9R1.21 OC[C@@H]1CC[C@H](N1)CO Z2309988693 [1,0,0,1,0,0|1,0,1]=4 339 B9R1.79 NC(CO)CC1CCC1 Z1263593952 [1,0,0,1,0,0|1,0,1]=4 340 B9R1.89 O=CC1CCCCCC1 Z1079442748 [1,0,0,1,0,0|2,0,0]=4 341 B9R1.89 OCC1CCCCNC1 Z1318147457 [1,0,0,1,0,0|1,0,1]=4 342 B9R1.118 CC1(CCCCC1)C=O Z1198343650 [1,0,0,1,0,0|2,0,0]=4 343 B9R1.118 CC1(CCCCN1)CO Z1255397122 [1,0,0,1,0,0|1,0,1]=4 344 B9R1.118 CC1(CCCCO1)C=O Z2178581866 [1,0,0,1,0,0|2,0,0]=4 345 B9R1.118 NC1(CCCCC1)CO Z2417556977 [1,0,0,1,0,0|1,0,1]=4 346 B9R1.118 O=CC1(CCCCC1)Br Z1255439614 [1,0,0,1,0,0|2,0,0]=4 347 B9R1.118 O=CC1(CCCCC1)Cl Z1251357068 [1,0,0,1,0,0|2,0,0]=4 348 B9R1.202 CC1(CCCC1N)CO Z1255430902 [1,0,0,1,0,0|1,0,1]=4 349 B9R1.6 CC(=O)C1CCCCN1 Z1954800414 [1,0,0,1,0,0|1,0,0]=3 350 B9R1.6 CC(=O)[C@@H]1CCCCN1 Z1618016835 [1,0,0,1,0,0|1,0,0]=3 351 B9R1.6 CC(=O)[C@H]1CCCCN1 Z2234185612 [1,0,0,1,0,0|1,0,0]=3 352 B9R1.6 CC(O)C1CCCCN1 Z995042172 [1,0,0,1,0,0|1,0,1]=4 353 B9R1.6 N=C(N)C1CCCCN1 Z1269145449 [1,0,0,1,0,0|2,0,0]=4 354 B9R1.6 NC(=O)C1CCCCC1 Z33546516 [1,0,0,1,0,0|2,0,0]=4 355 B9R1.6 NC(=O)C1CCCCN1 Z90122010 [1,0,0,1,0,0|1,0,0]=3 356 B9R1.6 NC(=O)C1CNCCN1 Z203041340 [1,0,0,1,0,0|2,0,0]=4 357 B9R1.6 NC(=O)C1CSCCN1 Z1198160722 [1,0,0,1,0,0|2,0,0]=4 358 B9R1.6 O=C(O)C1C=CCCC1 Z57127330 [1,0,0,1,0,0|1,0,1]=4 359 B9R1.6 O=C(O)C1C=CCCN1 Z3668162534 [1,0,0,1,0,0|0,0,2]=4 360 B9R1.6 O=C(O)C1CC=CCN1 Z3839411211 [1,0,0,1,0,0|0,0,2]=4 361 B9R1.6 O=C(O)C1CCCCC1 Z104475698 [1,0,0,1,0,0|1,0,0]=3 362 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [1,0,0,1,0,0|0,0,0]=2 363 B9R1.6 O=C(O)C1CCCCO1 Z963633098 [1,0,0,1,0,0|1,0,0]=3 364 B9R1.6 O=C(O)C1CCCNC1 Z324553206 [1,0,0,1,0,0|2,0,0]=4 365 B9R1.6 O=C(O)C1CCCOC1 Z445214062 [1,0,0,1,0,0|2,0,0]=4 366 B9R1.6 O=C(O)C1CCCSC1 Z1198485079 [1,0,0,1,0,0|2,0,0]=4 367 B9R1.6 O=C(O)C1CCCSS1 Z1262517456 [1,0,0,1,0,0|2,0,0]=4 368 B9R1.6 O=C(O)C1CCNCC1 Z104474390 [1,0,0,1,0,0|2,0,0]=4 369 B9R1.6 O=C(O)C1CCOCC1 Z85923421 [1,0,0,1,0,0|2,0,0]=4 370 B9R1.6 O=C(O)C1CCSCC1 Z826531634 [1,0,0,1,0,0|2,0,0]=4 371 B9R1.6 O=C(O)C1CCSCN1 Z1235963996 [1,0,0,1,0,0|1,0,0]=3 372 B9R1.6 O=C(O)C1CNCCN1 Z1273089259 [1,0,0,1,0,0|1,0,0]=3 373 B9R1.6 O=C(O)C1COCCN1 Z1255387606 [1,0,0,1,0,0|1,0,0]=3 374 B9R1.6 O=C(O)C1COCCO1 Z362763682 [1,0,0,1,0,0|2,0,0]=4 375 B9R1.6 O=C(O)C1CSCCS1 Z147642878 [1,0,0,1,0,0|2,0,0]=4 376 B9R1.6 O=C(O)C1SCCCS1 Z275241266 [1,0,0,1,0,0|2,0,0]=4 377 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [1,0,0,1,0,0|0,0,0]=2 378 B9R1.13 CC(=O)CC1CCCO1 Z513734588 [1,0,0,1,0,0|2,0,0]=4 379 B9R1.13 CC(O)CC1CCCN1 Z1203731942 [1,0,0,1,0,0|1,0,1]=4 380 B9R1.13 NC(=O)CC1CCCC1 Z33546662 [1,0,0,1,0,0|2,0,0]=4 381 B9R1.13 NC(=O)CC1CCCN1 Z1459435572 [1,0,0,1,0,0|1,0,0]=3 382 B9R1.13 O=C(O)CC1C=CCC1 Z104507506 [1,0,0,1,0,0|1,0,1]=4 383 B9R1.13 O=C(O)CC1CCCC1 Z104477042 [1,0,0,1,0,0|1,0,0]=3 384 B9R1.13 O=C(O)CC1CCCN1 Z1480642793 [1,0,0,1,0,0|0,0,0]=2 385 B9R1.13 O=C(O)CC1CCNC1 Z1863617764 [1,0,0,1,0,0|2,0,0]=4 386 B9R1.13 O=C(O)CC1CCOC1 Z825745916 [1,0,0,1,0,0|2,0,0]=4 387 B9R1.13 O=C(O)CC1OCCO1 Z1205496445 [1,0,0,1,0,0|2,0,0]=4 388 B9R1.13 O=C(O)CN1CCCC1 Z197269292 [1,0,0,1,0,0|2,0,0]=4 389 B9R1.13 O=C(O)C[C@@H]1CCCO1 Z1862025858 [1,0,0,1,0,0|1,0,0]=3 390 B9R1.13 O=C(O)C[C@H]1CCOC1 Z1205495408 [1,0,0,1,0,0|2,0,0]=4 391 B9R1.24 NCC1CCCS1(=O)=O Z1203586543 [1,0,0,1,0,0|1,0,1]=4 392 B9R1.41 CC1CCCC1C(=O)O Z1205493876 [1,0,0,1,0,0|1,0,0]=3 393 B9R1.41 CC1CCNC1C(=O)O Z1708090072 [1,0,0,1,0,0|2,0,0]=4 394 B9R1.41 CC1NCCC1C(=O)O Z2009848190 [1,0,0,1,0,0|2,0,0]=4 395 B9R1.41 CC1OCCC1C(=O)O Z1263714390 [1,0,0,1,0,0|2,0,0]=4 396 B9R1.41 CN1CCCC1C(=O)O Z424762078 [1,0,0,1,0,0|2,0,0]=4 397 B9R1.41 CN1CCC[C@@H]1C(=O)O Z1205493803 [1,0,0,1,0,0|2,0,0]=4 398 B9R1.41 NC(=O)C1CCCC1N Z1203642185 [1,0,0,1,0,0|1,0,0]=3 399 B9R1.41 NC(=O)[C@H]1CCC[C@H]1N Z2311233523 [1,0,0,1,0,0|1,0,0]=3 400 B9R1.41 NC(=O)[C@H]1OCC[C@H]1N Z3719404582 [1,0,0,1,0,0|2,0,0]=4 401 B9R1.41 NC1CCCC1C(=O)O Z1250132738 [1,0,0,1,0,0|0,0,0]=2 402 B9R1.41 NN1CCC[C@@H]1C(=O)O Z1205495541 [1,0,0,1,0,0|1,0,0]=3 403 B9R1.41 NN1CCC[C@H]1C(=O)O Z1205494129 [1,0,0,1,0,0|1,0,0]=3 404 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Z2568674579 [1,0,0,1,0,0|0,0,0]=2 405 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)O Z2937968219 [1,0,0,1,0,0|1,0,0]=3 406 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Z2327569946 [1,0,0,1,0,0|0,0,0]=2 407 B9R1.41 O=C(O)C1CCCC1O Z1080722426 [1,0,0,1,0,0|1,0,0]=3 408 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F Z3305005618 [1,0,0,1,0,0|2,0,0]=4 409 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O Z2310055381 [1,0,0,1,0,0|1,0,0]=3 410 B9R1.59 CCOC1CC1C(=O)O Z432051730 [1,0,0,1,0,0|2,0,0]=4 411 B9R1.67 CC1CCN1CC(=O)O Z2177030978 [1,0,0,1,0,0|2,0,0]=4 412 B9R1.67 NC1CCC1CC(=O)O Z4080002320 [1,0,0,1,0,0|0,0,0]=2 413 B9R1.84 O=C(O)CNC1CCC1 Z4897302450 [1,0,0,1,0,0|2,0,0]=4 414 B9R1.85 O=C(O)CCNC1CC1 Z235346951 [1,0,0,1,0,0|2,0,0]=4 415 B9R1.85 O=C(O)CNCC1CC1 Z359505670 [1,0,0,1,0,0|2,0,0]=4 416 B9R1.85 O=C(O)COCC1CC1 Z332379290 [1,0,0,1,0,0|2,0,0]=4 417 B9R1.86 NC[C@@H]1C[C@@H]1CC(=O)O Z4913154380 [1,0,0,1,0,0|0,0,0]=2 418 B9R1.96 NC[C@@H]1CC[C@@H]1C(=O)O Z4659668967 [1,0,0,1,0,0|0,0,0]=2 419 B9R1.23 CCC1CC(C(=O)N1)C Z1203824349 [1,0,0,1,0,0|2,0,0]=4 420 B9R1.23 CN1CC(OC1=O)CN Z1623864195 [1,0,0,1,0,0|2,0,0]=4 421 B9R1.35 CC1C=C(CC1)C(=O)O Z1205494874 [1,0,0,1,0,0|1,0,1]=4 422 B9R1.35 CC1CC(CO1)C(=O)O Z1509040560 [1,0,0,1,0,0|2,0,0]=4 423 B9R1.35 CC1CCC(C1)C(=O)O Z1190318311 [1,0,0,1,0,0|1,0,0]=3 424 B9R1.35 CC1COC(C1)C(=O)O Z2785866738 [1,0,0,1,0,0|2,0,0]=4 425 B9R1.35 CC1NC(CS1)C(=O)O Z317026564 [1,0,0,1,0,0|1,0,0]=3 426 B9R1.35 CN1CCC(C1)C(=O)O Z406683232 [1,0,0,1,0,0|2,0,0]=4 427 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [1,0,0,1,0,0|0,0,0]=2 428 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [1,0,0,1,0,0|1,0,0]=3 429 B9R1.35 NC(=O)[C@H]1CC[C@H](C1)N Z2238896801 [1,0,0,1,0,0|2,0,0]=4 430 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O Z2307368779 [1,0,0,1,0,0|1,0,0]=3 431 B9R1.35 O=C(O)C1CCC(C1)F Z1981870592 [1,0,0,1,0,0|2,0,0]=4 432 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [1,0,0,1,0,0|1,0,1]=4 433 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [1,0,0,1,0,0|1,0,1]=4 434 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [1,0,0,1,0,0|1,0,1]=4 435 B9R1.69 CC1CCC(C(=O)C1)C Z1238548176 [1,0,0,1,0,0|2,0,0]=4 436 B9R1.69 CC1CCC(C(=O)N1)C Z1203817414 [1,0,0,1,0,0|2,0,0]=4 437 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O Z2681202678 [1,0,0,1,0,0|2,0,0]=4 438 B9R1.95 NCC1CC(C1)C(=O)O Z3247510672 [1,0,0,1,0,0|1,0,0]=3 439 B9R1.110 CC(C(=O)O)C1CCC1 Z1198237996 [1,0,0,1,0,0|1,0,0]=3 440 B9R1.110 CC(C(=O)O)C1CNC1 Z1741794178 [1,0,0,1,0,0|2,0,0]=4 441 B9R1.110 CC(C(=O)O)N1CCC1 Z2310732393 [1,0,0,1,0,0|2,0,0]=4 442 B9R1.110 NC(C(=O)O)C1CCC1 Z1309515310 [1,0,0,1,0,0|0,0,0]=2 443 B9R1.110 O=C(O)C(O)C1CCC1 Z1205496047 [1,0,0,1,0,0|1,0,0]=3 444 B9R1.112 NC(CC1CC1)C(=O)O Z431958560 [1,0,0,1,0,0|0,0,0]=2 445 B9R1.112 O=C(O)C(F)CC1CC1 Z1443587524 [1,0,0,1,0,0|1,0,0]=3 446 B9R1.163 CC(=O)C1(CCCC1)N Z2736561944 [1,0,0,1,0,0|1,0,0]=3 447 B9R1.163 CC1(CCCC1)C(=O)O Z199537270 [1,0,0,1,0,0|1,0,0]=3 448 B9R1.163 CC1(CCCN1)C(=O)O Z1483991628 [1,0,0,1,0,0|1,0,0]=3 449 B9R1.163 CC1(CCCO1)C(=O)O Z1198171568 [1,0,0,1,0,0|2,0,0]=4 450 B9R1.163 CC1(CCCS1)C(=O)O Z1268152237 [1,0,0,1,0,0|2,0,0]=4 451 B9R1.163 CC1(CCNC1)C(=O)O Z1407007571 [1,0,0,1,0,0|2,0,0]=4 452 B9R1.163 CC1(CCOC1)C(=O)O Z995182654 [1,0,0,1,0,0|2,0,0]=4 453 B9R1.163 NC(=O)C1(CCCC1)N Z1267881706 [1,0,0,1,0,0|1,0,0]=3 454 B9R1.163 NC(=O)C1(CCCC1)O Z965048590 [1,0,0,1,0,0|2,0,0]=4 455 B9R1.163 NC1(CC=CC1)C(=O)O Z3814563789 [1,0,0,1,0,0|0,0,2]=4 456 B9R1.163 NC1(CCCC1)C(=O)O Z234896477 [1,0,0,1,0,0|0,0,0]=2 457 B9R1.163 NC1(CCOC1)C(=O)O Z1124555363 [1,0,0,1,0,0|1,0,0]=3 458 B9R1.163 NC1(CCSC1)C(=O)O Z317024750 [1,0,0,1,0,0|1,0,0]=3 459 B9R1.163 O=C(O)C1(CCCC1)O Z220335554 [1,0,0,1,0,0|1,0,0]=3 460 B9R1.163 O=C(O)C1(CCOC1)F Z1893239035 [1,0,0,1,0,0|2,0,0]=4 461 B9R1.163 O=C(O)C1(CCOC1)O Z1124555786 [1,0,0,1,0,0|2,0,0]=4 462 B11R1.43 NCC1CC(CO1)CC(=O)O Z3481962152 [0,0,0,1,0,1|2,0,0]=4 463 B11R1.77 NC(CC(=O)O)C1CCCC1 Z975823288 [0,0,0,1,0,1|1,0,0]=3 464 B11R1.143 NC(=O)C1CCCCCC1N Z1407673034 [0,0,0,1,0,1|2,0,0]=4 465 B11R1.143 N[C@@H]1CCCCC[C@@H]1C(=O)O Z2306862306 [0,0,0,1,0,1|1,0,0]=3 466 B11R1.157 CC1CCCC(C1)CC(=O)O Z352783434 [0,0,0,1,0,1|2,0,0]=4 467 B11R1.157 C[C@@H]1CCC[C@@H](O1)CC(=O)O Z4946669801 [0,0,0,1,0,1|2,0,0]=4 468 B11R1.157 NC(=O)CC1CCCC(C1)N Z4439100400 [0,0,0,1,0,1|2,0,0]=4 469 B11R1.157 NC1CCCC(C1)CC(=O)O Z5087190945 [0,0,0,1,0,1|1,0,0]=3 470 B11R1.157 NC1CCOC(C1)CC(=O)O Z4579787506 [0,0,0,1,0,1|2,0,0]=4 471 B11R1.157 O=C(O)CC1CCCC(=O)N1 Z1255458725 [0,0,0,1,0,1|1,0,1]=4 472 B11R1.157 O=C(O)CC1CCCC(C1)O Z1262524441 [0,0,0,1,0,1|2,0,0]=4 473 B11R1.742 O=C(O)CC1CCCCCC1 Z352783664 [0,0,0,1,0,1|2,0,0]=4 474 B11R1.928 CC1(CCCCC1)CC(=O)O Z1255466882 [0,0,0,1,0,1|2,0,0]=4 475 B11R1.928 NC(=O)CC1(CCCCC1)N Z2941400913 [0,0,0,1,0,1|2,0,0]=4 476 B11R1.928 NC1(CCCCC1)CC(=O)O Z1741975256 [0,0,0,1,0,1|1,0,0]=3 477 B11R1.928 NC1(CCNCC1)CC(=O)O Z1624323979 [0,0,0,1,0,1|2,0,0]=4 478 B11R1.928 NC1(CCOCC1)CC(=O)O Z2255110164 [0,0,0,1,0,1|2,0,0]=4 479 B11R1.928 O=C(O)CC1(CCCCC1)O Z982131964 [0,0,0,1,0,1|2,0,0]=4 480 B11R1.35 CC(CC1CCCC1)C(=O)O Z804901352 [0,1,0,1,0,0|2,0,0]=4 481 B11R1.35 CC(NC1CCCC1)C(=O)O Z1801304728 [0,1,0,1,0,0|2,0,0]=4 482 B11R1.35 CC(OC1CCCC1)C(=O)O Z316258764 [0,1,0,1,0,0|2,0,0]=4 483 B11R1.35 NC(CC1CCCC1)C(=O)O Z1558210079 [0,1,0,1,0,0|1,0,0]=3 484 B11R1.35 NC(CC1CCCO1)C(=O)O Z317025024 [0,1,0,1,0,0|1,0,0]=3 485 B11R1.35 NC(CC1CCOC1)C(=O)O Z2740400903 [0,1,0,1,0,0|1,0,0]=3 486 B11R1.35 NC(CC1CCSC1)C(=O)O Z3465027322 [0,1,0,1,0,0|1,0,0]=3 487 B11R1.35 O=C(O)C(O)CN1CCCC1 Z2310728139 [0,1,0,1,0,0|2,0,0]=4 488 B11R1.74 CC1CC(CC(C1)C(=O)O)C Z1249998224 [0,1,0,1,0,0|2,0,0]=4 489 B11R1.74 CC1CS(=O)CC(N1)C(=O)O Z4053136472 [0,1,0,1,0,0|2,0,0]=4 490 B11R1.74 C[C@H]1CC(=O)N[C@H](C1)C(=O)O Z2311222788 [0,1,0,1,0,0|1,0,1]=4 491 B11R1.74 C[C@H]1C[C@H](C[C@H](N1)C(=O)O)C Z2507795569 [0,1,0,1,0,0|1,0,0]=3 492 B11R1.497 O=C1CCCCC(N1)C(=O)O Z1217989816 [0,1,0,1,0,0|1,0,0]=3 493 B11R1.667 CC1(CC(CCO1)N)C(=O)O Z2830783135 [0,1,0,1,0,0|2,0,0]=4 494 B11R1.667 CC1CC(CCO1)(N)C(=O)O Z3006084661 [0,1,0,1,0,0|2,0,0]=4 495 B11R1.667 CC1CCCC(C1)(N)C(=O)O Z317024768 [0,1,0,1,0,0|1,0,0]=3 496 B11R1.173 CC(C)(C(=O)O)C1CCCN1 Z3478956181 [0,1,0,1,0,0|1,0,0]=3 497 B11R1.173 CC(N)(C(=O)O)C1CCCC1 Z4500621822 [0,1,0,1,0,0|1,0,0]=3 498 B11R1.737 CC1(CCCCCC1)C(=O)O Z1255397317 [0,1,0,1,0,0|2,0,0]=4 499 B11R1.737 NC(=O)C1(CCCCCC1)N Z285201190 [0,1,0,1,0,0|2,0,0]=4 500 B11R1.737 NC1(CCCCCC1)C(=O)O Z317024840 [0,1,0,1,0,0|1,0,0]=3 501 B11R1.737 O=C(O)C1(CCCCCC1)O Z787969976 [0,1,0,1,0,0|2,0,0]=4 502 B11R1.1229 CCC1CCC(C1)(O)C(=O)O Z381410914 [0,1,0,1,0,0|2,0,0]=4 503 B11R1.36 CC(C(=O)O)C1CCNCC1 Z3244908692 [0,1,0,1,0,0|2,0,0]=4 504 B11R1.36 CC(C(=O)O)C1CCOCC1 Z1262520886 [0,1,0,1,0,0|2,0,0]=4 505 B11R1.36 CC(C(=O)O)N1CCCCC1 Z1172068155 [0,1,0,1,0,0|2,0,0]=4 506 B11R1.36 NC(C(=O)O)C1CC=CCC1 Z3562671618 [0,1,0,1,0,0|1,0,1]=4 507 B11R1.36 NC(C(=O)O)C1CCCCC1 Z752370756 [0,1,0,1,0,0|1,0,0]=3 508 B11R1.36 NC(C(=O)O)C1CCOCC1 Z2895181969 [0,1,0,1,0,0|1,0,0]=3 509 B11R1.36 O=C(O)C(F)C1CCNCC1 Z2733346658 [0,1,0,1,0,0|2,0,0]=4 510 B11R1.36 O=C(O)C(O)C1CCCCC1 Z788000630 [0,1,0,1,0,0|2,0,0]=4 511 B11R1.36 O=C(O)C(O)C1CCCNC1 Z1964357511 [0,1,0,1,0,0|1,0,0]=3 512 B11R1.36 O=C(O)C(O)C1CCNCC1 Z3045554278 [0,1,0,1,0,0|2,0,0]=4 513 B11R1.266 CCC1CC(CCO1)C(=O)O Z1192344099 [0,1,0,1,0,0|2,0,0]=4 514 B11R1.266 CCC1CCCC(N1)C(=O)O Z1612958646 [0,1,0,1,0,0|1,0,0]=3 515 B11R1.266 CCN1CCCC(C1)C(=O)O Z763029984 [0,1,0,1,0,0|2,0,0]=4 516 B11R1.266 CC[C@@H]1COC[C@@H](N1)C(=O)O Z4767064022 [0,1,0,1,0,0|1,0,0]=3 517 B11R1.266 COC1CCCC(C1)C(=O)O Z1192182025 [0,1,0,1,0,0|2,0,0]=4 518 B11R1.266 N#CC1CCCC(C1)C(=O)O Z1515406065 [0,1,0,1,0,0|1,0,1]=4 519 B11R1.266 N#C[C@H]1CCC[C@H](C1)C(=O)O Z4790589241 [0,1,0,1,0,0|1,0,1]=4 520 B11R1.266 NCC1CC(CCO1)C(=O)O Z5712882945 [0,1,0,1,0,0|1,0,0]=3 521 B11R1.520 CC1CCCCC1(N)C(=O)O Z317024760 [0,1,0,1,0,0|1,0,0]=3 522 B11R1.520 O=C(O)[C@@]1(CCNC[C@H]1O)O Z4435493440 [0,1,0,1,0,0|2,0,0]=4 523 B11R1.706 O=C(O)C1CCCCCCC1 Z792377154 [0,1,0,1,0,0|2,0,0]=4 524 B11R1.706 O=C(O)C1CCCCCCN1 Z1998612770 [0,1,0,1,0,0|1,0,0]=3 525 B11R1.167 CC1CCC(C(N1)C(=O)O)C Z4075226032 [0,1,0,1,0,0|1,0,0]=3 526 B11R1.314 CC(C(=O)O)C1CCC(=O)N1 Z2255110079 [0,1,0,1,0,0|1,0,1]=4 527 B11R1.3 CCC1CCC(NC1)C(=O)O Z4108992291 [0,1,0,1,0,0|1,0,0]=3 528 B11R1.3 CC[C@H]1CC[C@@H](CC1)C(=O)O Z1201620833 [0,1,0,1,0,0|2,0,0]=4 529 B11R1.3 NCC1CCC(CC1)C(=O)N Z1407007335 [0,1,0,1,0,0|2,0,0]=4 530 B11R1.3 NCC1CCC(CO1)C(=O)O Z4876522270 [0,1,0,1,0,0|1,0,0]=3 531 B11R1.3 NC[C@@H]1CO[C@H](CO1)C(=O)O Z4954072342 [0,1,0,1,0,0|2,0,0]=4 532 B11R1.3 NC[C@H]1CC[C@@H](CC1)C(=O)O Z1741970429 [0,1,0,1,0,0|1,0,0]=3 533 B11R1.21 CC1CCC(CC1C)C(=O)O Z1250017822 [0,1,0,1,0,0|2,0,0]=4 534 B11R1.21 CC1CCC(CC1N)C(=O)O Z1262537169 [0,1,0,1,0,0|1,0,0]=3 535 B11R1.21 CC1CCC(NC1C)C(=O)O Z2350909288 [0,1,0,1,0,0|1,0,0]=3 536 B11R1.21 NC1CC(CCC1O)C(=O)O Z4296875227 [0,1,0,1,0,0|1,0,0]=3 537 B11R1.220 CC1(CCC(CC1)O)C(=O)O Z1262526806 [0,1,0,1,0,0|2,0,0]=4 538 B11R1.220 CC1CCC(CC1)(N)C(=O)O Z317024836 [0,1,0,1,0,0|1,0,0]=3 539 B11R1.220 NC1CCC(CC1)(N)C(=O)O Z1483956645 [0,1,0,1,0,0|1,0,0]=3 540 B11R1.417 NC[C@]1(CC[C@@H](C1)C(=O)O)F Z3682735312 [0,1,0,1,0,0|1,0,0]=3 541 B11R1.417 NC[C@]1(CC[C@H](C1)C(=O)O)F Z3717955439 [0,1,0,1,0,0|1,0,0]=3 542 B11R1.565 NC1CCCC(CC1)C(=O)O Z3478634516 [0,1,0,1,0,0|1,0,0]=3 543 B11R1.23 COC(=O)C1CCCC(=O)N1 Z1198314890 [0,1,0,1,0,0|1,0,1]=4 544 B11R1.23 COC(=O)C1CCCC(C1)O Z1255439712 [0,1,0,1,0,0|2,0,0]=4 545 B11R1.23 COC(=O)N1CCCC(C1)N Z802635858 [0,1,0,1,0,0|2,0,0]=4 546 B11R1.23 COC(=O)[C@@H]1CCC[C@H](C1)N Z2306922211 [0,1,0,1,0,0|1,0,0]=3 547 B11R1.31 CNC(=O)C(N)C1CCCC1 Z5343013092 [0,1,0,1,0,0|2,0,0]=4 548 B11R1.31 COC(=O)C(N)C1CCCC1 Z3247510653 [0,1,0,1,0,0|1,0,0]=3 549 B11R1.44 COC(=O)N1CCC(C1)CN Z2065788223 [0,1,0,1,0,0|2,0,0]=4 550 B11R1.121 COC(=O)C1CC(C1)CCN Z3247248016 [0,1,0,1,0,0|1,0,0]=3 551 B11R1.293 COC(=O)C(N)CC1CCC1 Z1946684509 [0,1,0,1,0,0|1,0,0]=3 552 B11R1.852 COC(=O)C1CCCCCN1 Z2232973413 [0,1,0,1,0,0|1,0,0]=3 553 B11R1.852 COC(=O)C1CCNCCN1 Z1269232100 [0,1,0,1,0,0|2,0,0]=4 554 B11R1.878 CNC(=O)C1(CCCCC1)N Z1162448836 [0,1,0,1,0,0|2,0,0]=4 555 B11R1.878 COC(=O)C1(CCCCC1)N Z235351541 [0,1,0,1,0,0|1,0,0]=3 556 B11R1.878 COC(=O)C1(CCCOC1)N Z2310702450 [0,1,0,1,0,0|2,0,0]=4 557 B11R1.878 COC(=O)C1(CCNCC1)N Z2064681951 [0,1,0,1,0,0|2,0,0]=4 558 B11R1.878 COC(=O)C1(CCOCC1)N Z2236735388 [0,1,0,1,0,0|2,0,0]=4 559 B11R1.878 COC(=O)C1(CCSCC1)N Z1741785951 [0,1,0,1,0,0|2,0,0]=4 560 B11R1.159 CN1C(=O)CCCC1C(=O)O Z1262558916 [0,1,0,1,0,0|1,0,1]=4 561 B11R1.1074 CCC1(CCCCC1)C(=O)O Z995180910 [0,1,0,1,0,0|2,0,0]=4 562 B11R1.1074 CCC1(CCCCN1)C(=O)O Z3244871896 [0,1,0,1,0,0|1,0,0]=3 563 B11R1.1074 CNC1(CCCCC1)C(=O)O Z446011394 [0,1,0,1,0,0|1,0,0]=3 564 B11R1.1074 CNC1(CCOCC1)C(=O)O Z446011000 [0,1,0,1,0,0|2,0,0]=4 565 B11R1.1074 COC1(CCCCC1)C(=O)O Z803492292 [0,1,0,1,0,0|2,0,0]=4 566 B11R1.1074 N#CC1(CCCCC1)C(=O)O Z361971468 [0,1,0,1,0,0|1,0,1]=4 567 B11R1.1074 NCC1(CCCCC1)C(=O)O Z3235017457 [0,1,0,1,0,0|1,0,0]=3 568 B11R1.1074 NCC1(CCCOC1)C(=O)O Z2724010460 [0,1,0,1,0,0|2,0,0]=4 569 B11R1.175 NC(=O)[C@@H]1CC[C@@H](O1)C(=O)O Z1814367061 [0,1,0,1,0,0|1,0,1]=4 570 B11R1.175 O=C(O)[C@@H]1CC[C@@H](O1)C(F)F Z5630360403 [0,1,0,1,0,0|2,0,0]=4 571 B11R1.730 CC1(CCCC(C1)C(=O)O)C Z1229795777 [0,1,0,1,0,0|2,0,0]=4 572 B11R1.730 CC1(CCCC(O1)C(=O)O)C Z1836444615 [0,1,0,1,0,0|2,0,0]=4 573 B11R1.730 CC1(COCC(N1)C(=O)O)C Z1739253890 [0,1,0,1,0,0|2,0,0]=4 574 B11R1.730 O=C(O)C1CCCC(C1)(F)F Z1222424911 [0,1,0,1,0,0|2,0,0]=4 575 B11R1.1386 CC1(CCCC1(N)C(=O)O)C Z1198173988 [0,1,0,1,0,0|1,0,0]=3 576 B11R2.8 N[C@H]1C(=O)O[C@@H]2[C@H]1CCC2 Z3371285302 [0,0,0,2,0,0|1,0,0]=3 577 B11R2.357 O=C1NCC2CCCC1N2 Z3487940635 [0,0,0,2,0,0|2,0,0]=4 578 B11R2.130 CC1C(=O)CC2CCC1N2 Z2694742906 [0,0,0,2,0,0|2,0,0]=4 579 B11R2.141 O=C(O)C1CC12CCCC2 Z979743296 [0,0,0,2,0,0|2,0,0]=4 580 B11R2.814 O=C(O)C1CC2C1CCC2 Z1509040895 [0,0,0,2,0,0|2,0,0]=4 581 B11R2.845 O=C(O)C1CC2CCC1C2 Z147433488 [0,0,0,2,0,0|2,0,0]=4 582 B11R2.845 O=C(O)C1CC2CCC1N2 Z2899600133 [0,0,0,2,0,0|1,0,0]=3 583 B11R2.845 O=C(O)[C@@H]1C[C@@H]2CC[C@H]1O2 Z3301415369 [0,0,0,2,0,0|2,0,0]=4 584 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1O2 Z1197865945 [0,0,0,2,0,0|2,0,0]=4 585 B11R2.1825 NC1(C2C1CCC2)C(=O)O Z5343255683 [0,0,0,2,0,0|1,0,0]=3 586 B11R2.822 O=C(O)[C@@H]1NC[C@@H]2[C@H]1CC2 Z3484275452 [0,0,0,2,0,0|1,0,0]=3 587 B11R2.1839 NC(=O)C12CCC(N1)CC2 Z2867975581 [0,0,0,2,0,0|2,0,0]=4 588 B11R2.1839 O=C(O)C12CCC(C1)CC2 Z1198162267 [0,0,0,2,0,0|2,0,0]=4 589 B11R2.1839 O=C(O)C12CCC(C1)CO2 Z3334129707 [0,0,0,2,0,0|2,0,0]=4 590 B11R2.1868 O=C(O)C1CCC2(C1)CC2 Z1205498074 [0,0,0,2,0,0|2,0,0]=4 591 B11R2.1868 O=C(O)C1CCC2(N1)CC2 Z4655556783 [0,0,0,2,0,0|1,0,0]=3 592 B11R2.612 N[C@@H]1C[C@@H]([C@@H]2[C@H]1C2)C(=O)O Z2896140319 [0,0,0,2,0,0|1,0,0]=3 593 B11R2.612 O=C1N[C@H]([C@@H]2[C@H]1C2)C(=O)O Z3638167617 [0,0,0,2,0,0|1,0,1]=4 594 B11R2.839 O=C(O)C1CCC2CC2C1 Z1509040982 [0,0,0,2,0,0|2,0,0]=4 595 B11R2.457 NC1CC1C2CC2C(=O)O Z3996628890 [0,0,0,2,0,0|1,0,0]=3 596 B11R2.813 NC(=O)[C@]12C[C@H]1CCCN2 Z2941534151 [0,0,0,2,0,0|2,0,0]=4 597 B11R2.813 O=C(O)C12CCCCC1C2 Z1205497757 [0,0,0,2,0,0|2,0,0]=4 598 B11R2.813 O=C(O)[C@]12C[C@H]1CCCN2 Z2896884384 [0,0,0,2,0,0|1,0,0]=3 599 B11R2.1836 O=C(O)[C@@H]1C[C@H]1C2CCC2 Z2301518213 [0,0,0,2,0,0|2,0,0]=4 600 B11R2.1852 O=C(O)[C@@H]1[C@@H]2[C@H]1OCCC2 Z3002935457 [0,0,0,2,0,0|2,0,0]=4 601 B11R2.849 NC1(CCC2C1C2)C(=O)O Z3282783244 [0,0,0,2,0,0|1,0,0]=3 602 B11R2.820 NC1(CC2CC1C2)C(=O)O Z4896413827 [0,0,0,2,0,0|1,0,0]=3 603 B11R2.819 O=C(O)[C@]12CC[C@H]1CCN2 Z3181907870 [0,0,0,2,0,0|1,0,0]=3 604 B11R2.819 O=C(O)[C@]12CC[C@H]1CNC2 Z2940617658 [0,0,0,2,0,0|1,0,0]=3 605 B11R0.46 NCCCCC(=O)NCC(=O)O Z1188070459 [0,0,0,0,0,2|1,0,1]=4