0 B9R0.2 C#CCCCCCC(=O)O Z1205493707 [0,0,0,0,0,0|0,0,2]=2 1 B9R0.2 C=CCOCCCC(=O)O Z362807808 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.2 CC(=O)NCCOCCO Z353623894 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.2 CCCCCCCC(=O)O Z104495238 [0,0,0,0,0,0|0,0,0]=0 4 B9R0.2 CCCCCCNC(=S)N Z55992996 [0,0,0,0,0,0|2,1,0]=3 5 B9R0.2 CCCCCNCC(=O)N Z104536260 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.2 CCCCCOCC(=O)O Z409357548 [0,0,0,0,0,0|1,0,0]=1 7 B9R0.2 CCCCSCCC(=O)O Z149304844 [0,0,0,0,0,0|1,0,0]=1 8 B9R0.2 CCCNCCCN(C)C Z334950180 [0,0,0,0,0,0|4,0,0]=4 9 B9R0.2 CCNCCCCC(=O)O Z2893830564 [0,0,0,0,0,0|1,0,0]=1 10 B9R0.2 CCOCCCNC(=O)N Z56985786 [0,0,0,0,0,0|3,0,0]=3 11 B9R0.2 CCOCCCNC(=S)N Z108564470 [0,0,0,0,0,0|3,1,0]=4 12 B9R0.2 CCOCCOCC(=O)O Z316258972 [0,0,0,0,0,0|2,0,0]=2 13 B9R0.2 COCCNCCC(=O)O Z53116030 [0,0,0,0,0,0|2,0,0]=2 14 B9R0.2 COCCOCCC(=O)O Z316259200 [0,0,0,0,0,0|2,0,0]=2 15 B9R0.2 NC(=O)NCCOCCO Z198194948 [0,0,0,0,0,0|4,0,0]=4 16 B9R0.2 NCCCCCCC(=O)O Z56896351 [0,0,0,0,0,0|1,0,0]=1 17 B9R0.2 NCCOCCCC(=O)O Z5080450038 [0,0,0,0,0,0|2,0,0]=2 18 B9R0.2 O=C(O)CCNCCCO Z53116999 [0,0,0,0,0,0|2,0,0]=2 19 B8R0.4 C#CCCCCCCN Z3847490647 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.4 C#CCCCCCCO Z1198157198 [1,0,0,0,0,0|0,0,3]=4 21 B8R0.4 C=CCCCCCCN Z1198263320 [1,0,0,0,0,0|2,0,0]=3 22 B8R0.4 CCCCCCCCO Z104473500 [1,0,0,0,0,0|0,0,1]=2 23 B8R0.4 CCCCCNCCO Z137800944 [1,0,0,0,0,0|1,0,1]=3 24 B8R0.4 CCCCNCCCC Z102766286 [1,0,0,0,0,0|2,0,1]=4 25 B8R0.4 CCCCNCCCO Z102766210 [1,0,0,0,0,0|1,0,1]=3 26 B8R0.4 COCCCNCCO Z382722010 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.4 COCCOCCCO Z1080358808 [1,0,0,0,0,0|2,0,1]=4 28 B8R0.4 NCCCCCCCN Z275166586 [1,0,0,0,0,0|2,0,1]=4 29 B8R0.4 NCCCCCCCO Z3016956569 [1,0,0,0,0,0|1,0,1]=3 30 B8R0.4 OCCCNCCCO Z104684334 [1,0,0,0,0,0|2,0,1]=4 31 B8R0.7 C#CCCNCC(=O)O Z4916843541 [1,0,0,0,0,0|1,0,2]=4 32 B8R0.7 C#CCCOCC(=O)O Z1205655947 [1,0,0,0,0,0|1,0,2]=4 33 B8R0.7 C#CCOCCC(=O)O Z362807240 [1,0,0,0,0,0|1,0,2]=4 34 B8R0.7 C=CCCOCC(=O)O Z362807886 [1,0,0,0,0,0|1,0,2]=4 35 B8R0.7 C=CCNCCC(=O)O Z3388124649 [1,0,0,0,0,0|1,0,2]=4 36 B8R0.7 CC#CCCCC(=O)O Z1205494323 [1,0,0,0,0,0|0,0,2]=3 37 B8R0.7 CC#CCNCC(=O)O Z4923954034 [1,0,0,0,0,0|1,0,2]=4 38 B8R0.7 CC(=O)CCCCC#N Z2350907379 [1,0,0,0,0,0|2,0,1]=4 39 B8R0.7 CC(=O)NCCCCN Z600498842 [1,0,0,0,0,0|3,0,0]=4 40 B8R0.7 CCCCCCC(=N)N Z4088236340 [1,0,0,0,0,0|2,0,0]=3 41 B8R0.7 CCCCCCC(=O)O Z104474412 [1,0,0,0,0,0|0,0,0]=1 42 B8R0.7 CCCCCCC(C)N Z104477186 [1,0,0,0,0,0|2,0,1]=4 43 B8R0.7 CCCCCNC(=N)N Z1090000368 [1,0,0,0,0,0|3,0,0]=4 44 B8R0.7 CCCCNCC(=O)N Z398513412 [1,0,0,0,0,0|2,0,0]=3 45 B8R0.7 CCCCOCC(=O)O Z409190912 [1,0,0,0,0,0|1,0,0]=2 46 B8R0.7 CCCCSCC(=O)O Z239951532 [1,0,0,0,0,0|1,0,0]=2 47 B8R0.7 CCCNCCC(=O)O Z2944330072 [1,0,0,0,0,0|1,0,0]=2 48 B8R0.7 CCNCCCC(=O)O Z2937339976 [1,0,0,0,0,0|1,0,0]=2 49 B8R0.7 CCNCCNC(=O)C Z123868526 [1,0,0,0,0,0|3,0,0]=4 50 B8R0.7 CCOCCCC(=O)O Z316258950 [1,0,0,0,0,0|1,0,0]=2 51 B8R0.7 CCOCCNC(=O)N Z432417116 [1,0,0,0,0,0|3,0,0]=4 52 B8R0.7 CCSCCCC(=N)N Z1861964086 [1,0,0,0,0,0|3,0,0]=4 53 B8R0.7 CNCCCCC(=O)O Z3034937142 [1,0,0,0,0,0|1,0,0]=2 54 B8R0.7 CNCCCNC(=O)C Z1269638441 [1,0,0,0,0,0|3,0,0]=4 55 B8R0.7 COCCCCC(=O)O Z362633826 [1,0,0,0,0,0|1,0,0]=2 56 B8R0.7 COCCCNC(=O)N Z56979275 [1,0,0,0,0,0|3,0,0]=4 57 B8R0.7 COCCCOC(=O)C Z1123440688 [1,0,0,0,0,0|3,0,0]=4 58 B8R0.7 COCCNCC(=O)N Z1262250392 [1,0,0,0,0,0|3,0,0]=4 59 B8R0.7 COCCNCC(=O)O Z1276446903 [1,0,0,0,0,0|2,0,0]=3 60 B8R0.7 COCCOCC(=O)C Z447894346 [1,0,0,0,0,0|3,0,0]=4 61 B8R0.7 COCCOCC(=O)O Z104477918 [1,0,0,0,0,0|2,0,0]=3 62 B8R0.7 COCCSCC(=O)O Z167837764 [1,0,0,0,0,0|2,0,0]=3 63 B8R0.7 CSCCCCC(=O)O Z732206636 [1,0,0,0,0,0|1,0,0]=2 64 B8R0.7 CSCCNCC(=O)O Z2512524162 [1,0,0,0,0,0|2,0,0]=3 65 B8R0.7 N#CCCSCC(=O)O Z1205494587 [1,0,0,0,0,0|2,0,1]=4 66 B8R0.7 NCCCCCC(=O)O Z1272730910 [1,0,0,0,0,0|1,0,0]=2 67 B8R0.7 NCCCOCC(=O)O Z3178895188 [1,0,0,0,0,0|2,0,0]=3 68 B8R0.7 NCCOCCC(=O)O Z1262546494 [1,0,0,0,0,0|2,0,0]=3 69 B8R0.7 O=C(O)CCCCCBr Z104477716 [1,0,0,0,0,0|1,0,0]=2 70 B8R0.7 O=C(O)CCCCCF Z1205494157 [1,0,0,0,0,0|1,0,0]=2 71 B8R0.7 O=C(O)CCNCCO Z53116574 [1,0,0,0,0,0|2,0,0]=3 72 B8R0.7 O=C([O-])CNCCCO Z5147896273 [1,0,0,0,0,0|2,0,1]=4 73 B10R0.3 CCCC(C)CCCC(=O)O Z1198160150 [0,1,0,0,0,0|0,0,0]=1 74 B10R0.3 CCNC(=O)CCCC(=O)O Z90423818 [0,1,0,0,0,0|1,0,1]=3 75 B10R0.3 CCOC(=O)CNCC(=O)O Z4643529485 [0,1,0,0,0,0|2,0,1]=4 76 B10R0.3 CCOC(=O)NCCC(=O)O Z64466763 [0,1,0,0,0,0|2,0,1]=4 77 B10R0.3 COCC(=O)NCCC(=O)O Z85914467 [0,1,0,0,0,0|2,0,1]=4 78 B10R0.3 NCCC(=O)NCCC(=O)O Z3568417658 [0,1,0,0,0,0|2,0,1]=4 79 B10R0.4 C#CCCCCCCC(=O)O Z1255435221 [0,1,0,0,0,0|0,0,1]=2 80 B10R0.4 CC(=O)OCCCCCCN Z5197785028 [0,1,0,0,0,0|2,0,0]=3 81 B10R0.4 CCCCCCCCC(=O)N Z296759818 [0,1,0,0,0,0|1,0,0]=2 82 B10R0.4 CCCCCCCCC(=O)O Z104473336 [0,1,0,0,0,0|0,0,0]=1 83 B10R0.4 CCCCCCCCS(=O)C Z1198155780 [0,1,0,0,0,0|2,0,0]=3 84 B10R0.4 CCCCCCOCC(=O)O Z362795556 [0,1,0,0,0,0|0,0,0]=1 85 B10R0.4 CCOCCCCCC(=O)O Z1219750577 [0,1,0,0,0,0|0,0,0]=1 86 B10R0.4 COCCCOCCC(=O)O Z608071756 [0,1,0,0,0,0|1,0,0]=2 87 B10R0.4 COCCOCCCC(=O)O Z316259206 [0,1,0,0,0,0|1,0,0]=2 88 B10R0.4 CSCCCCCCC(=O)O Z1262519805 [0,1,0,0,0,0|0,0,0]=1 89 B10R0.4 N=C(N)NCCCCCCN Z1837073394 [0,1,0,0,0,0|3,0,0]=4 90 B10R0.4 NCCCCCCCC(=O)O Z1201625777 [0,1,0,0,0,0|0,0,0]=1 91 B10R0.6 CCCCCC(C)CC(=O)O Z1198151370 [0,1,0,0,0,0|0,0,0]=1 92 B10R0.6 CCCCCC(O)CC(=O)O Z982131990 [0,1,0,0,0,0|0,0,0]=1 93 B10R0.22 NCCCCCCS(=O)(=O)N Z4639316211 [0,1,0,0,0,0|2,0,1]=4 94 B10R0.55 CCC(C)CCCCC(=O)O Z1198160151 [0,1,0,0,0,0|0,0,0]=1 95 B10R0.55 CNC(=O)CCCCC(=O)O Z429593536 [0,1,0,0,0,0|1,0,1]=3 96 B10R0.55 COC(=O)CCCCC(=O)O Z1255485264 [0,1,0,0,0,0|1,0,1]=3 97 B10R0.55 COC(=O)CSCCC(=O)O Z54688741 [0,1,0,0,0,0|2,0,1]=4 98 B10R0.55 COC(=O)NCCCC(=O)O Z319610262 [0,1,0,0,0,0|2,0,1]=4 99 B10R0.55 NCC(=O)CCCCC(=O)O Z1262545972 [0,1,0,0,0,0|1,0,1]=3 100 B10R0.74 CCCCCCCC(C)CN Z415655116 [0,1,0,0,0,0|2,0,1]=4 101 B10R0.74 CCCCCCNC(=O)CCl Z147647954 [0,1,0,0,0,0|2,0,0]=3 102 B10R0.74 CNC(=O)CCCCCCN Z1457934838 [0,1,0,0,0,0|2,0,0]=3 103 B10R0.74 COC(=O)NCCCCC#N Z1119637487 [0,1,0,0,0,0|2,0,1]=4 104 B10R0.74 COCCNCCC(=O)OC Z53116038 [0,1,0,0,0,0|2,0,0]=3 105 B10R0.75 CCCCCCC(C)C(=O)O Z756390482 [0,1,0,0,0,0|0,0,0]=1 106 B10R0.75 CCOCCOC(C)C(=O)O Z316258976 [0,1,0,0,0,0|2,0,0]=3 107 B10R0.75 NCCCSCC(N)C(=O)O Z2065464260 [0,1,0,0,0,0|2,0,0]=3 108 B10R0.75 N[C@@H](CSSCCO)C(=O)O Z1198169002 [0,1,0,0,0,0|3,0,0]=4 109 B10R0.78 CCCCC(O)CCC(=O)O Z838959646 [0,1,0,0,0,0|0,0,0]=1 110 B10R0.78 CCCNC(=O)CCC(=O)O Z90423791 [0,1,0,0,0,0|1,0,1]=3 111 B10R0.78 NCCCC(=O)NCC(=O)O Z760081522 [0,1,0,0,0,0|2,0,1]=4 112 B10R0.97 CC(=O)NCCOCC(=O)O Z1323534045 [0,1,0,0,0,0|2,0,1]=4 113 B10R0.97 CC(C)CCCCCC(=O)O Z1198149402 [0,1,0,0,0,0|0,0,0]=1 114 B10R0.97 CC(C)OCCCNC(=O)N Z56979261 [0,1,0,0,0,0|3,0,0]=4 115 B10R0.97 CN(C)CCOCCC(=O)O Z3400152526 [0,1,0,0,0,0|2,0,0]=3 116 B10R0.97 NC(=O)NCCCCC(=O)O Z90663560 [0,1,0,0,0,0|2,0,1]=4 117 B10R0.97 O=C(O)CCCCCC(=O)O Z104495338 [0,1,0,0,0,0|1,0,1]=3 118 B10R0.97 O=C(O)CCSCCC(=O)O Z104476280 [0,1,0,0,0,0|2,0,1]=4 119 B10R1.10 CCCC1CC(=O)CCO1 Z1192341343 [0,0,0,1,0,0|2,0,0]=3 120 B10R1.10 CCCN1CCCC(C1)O Z197276296 [0,0,0,1,0,0|2,0,1]=4 121 B10R1.10 COCC1CCNC(=O)C1 Z1203748366 [0,0,0,1,0,0|3,0,0]=4 122 B10R1.10 NCCC1CCNC(=O)C1 Z4077128228 [0,0,0,1,0,0|3,0,0]=4 123 B10R1.16 CCCCC1CCC(C1)N Z1233210350 [0,0,0,1,0,0|2,0,1]=4 124 B10R1.18 CC(=O)CC1CCNCC1 Z3235039172 [0,0,0,1,0,0|2,0,0]=3 125 B10R1.18 CC(=O)CC1CCOCC1 Z992965782 [0,0,0,1,0,0|2,0,0]=3 126 B10R1.18 CC(=O)CC1COCCN1 Z1649677748 [0,0,0,1,0,0|3,0,0]=4 127 B10R1.18 CC(=O)NC1CCCNC1 Z285140960 [0,0,0,1,0,0|3,0,0]=4 128 B10R1.18 CC(=O)NC1CCNCC1 Z969560560 [0,0,0,1,0,0|3,0,0]=4 129 B10R1.18 CC(N)CC1CCCCC1 Z3235020113 [0,0,0,1,0,0|2,0,1]=4 130 B10R1.18 CC(O)CC1CCCCN1 Z1203731039 [0,0,0,1,0,0|2,0,1]=4 131 B10R1.18 CC(O)CC1CCNCC1 Z3269078967 [0,0,0,1,0,0|2,0,1]=4 132 B10R1.18 N=C(N)CC1CCCCC1 Z803129918 [0,0,0,1,0,0|2,0,0]=3 133 B10R1.18 NC(=NC1CCCCC1)N Z1250080946 [0,0,0,1,0,0|3,0,0]=4 134 B10R1.18 NC(=O)CC1CCCCC1 Z33547160 [0,0,0,1,0,0|1,0,0]=2 135 B10R1.18 NC(=O)CC1CCCCN1 Z370714204 [0,0,0,1,0,0|2,0,0]=3 136 B10R1.18 NC(=O)CC1CCCNC1 Z1318268688 [0,0,0,1,0,0|2,0,0]=3 137 B10R1.18 NC(=O)CC1CCNCC1 Z300072138 [0,0,0,1,0,0|2,0,0]=3 138 B10R1.18 NC(=O)CC1CNCCO1 Z1274804035 [0,0,0,1,0,0|3,0,0]=4 139 B10R1.18 NC(=O)CC1COCCN1 Z2080125157 [0,0,0,1,0,0|3,0,0]=4 140 B10R1.18 NC(=O)CN1CCNCC1 Z169506468 [0,0,0,1,0,0|3,0,0]=4 141 B10R1.18 NC(=O)NC1CCCCC1 Z56896929 [0,0,0,1,0,0|2,0,0]=3 142 B10R1.18 NC(=O)NC1CCCNC1 Z1259341125 [0,0,0,1,0,0|3,0,0]=4 143 B10R1.18 NC(=O)NC1CCNCC1 Z1272096623 [0,0,0,1,0,0|3,0,0]=4 144 B10R1.18 NC(=S)NC1CCCCC1 Z56931891 [0,0,0,1,0,0|2,1,0]=4 145 B10R1.18 O=C(O)C=C1CCCCC1 Z352748084 [0,0,0,1,0,0|0,0,2]=3 146 B10R1.18 O=C(O)C=C1CCOCC1 Z440605394 [0,0,0,1,0,0|1,0,2]=4 147 B10R1.18 O=C(O)C=C1CCSCC1 Z1262528560 [0,0,0,1,0,0|1,0,2]=4 148 B10R1.18 O=C(O)CC1=CCCCC1 Z1138835936 [0,0,0,1,0,0|0,0,2]=3 149 B10R1.18 O=C(O)CC1=CCOCC1 Z1205495477 [0,0,0,1,0,0|1,0,2]=4 150 B10R1.18 O=C(O)CC1C=CCCC1 Z1198264430 [0,0,0,1,0,0|0,0,2]=3 151 B10R1.18 O=C(O)CC1CCCCC1 Z104486044 [0,0,0,1,0,0|0,0,0]=1 152 B10R1.18 O=C(O)CC1CCCCN1 Z3234954063 [0,0,0,1,0,0|1,0,0]=2 153 B10R1.18 O=C(O)CC1CCCCO1 Z432421618 [0,0,0,1,0,0|1,0,0]=2 154 B10R1.18 O=C(O)CC1CCCNC1 Z1272743958 [0,0,0,1,0,0|1,0,0]=2 155 B10R1.18 O=C(O)CC1CCCOC1 Z445215100 [0,0,0,1,0,0|1,0,0]=2 156 B10R1.18 O=C(O)CC1CCOCC1 Z440605396 [0,0,0,1,0,0|1,0,0]=2 157 B10R1.18 O=C(O)CC1CCSCC1 Z826531570 [0,0,0,1,0,0|1,0,0]=2 158 B10R1.18 O=C(O)CC1CNCCO1 Z3241262582 [0,0,0,1,0,0|2,0,0]=3 159 B10R1.18 O=C(O)CC1COCCN1 Z1741981133 [0,0,0,1,0,0|2,0,0]=3 160 B10R1.18 O=C(O)CC1CSCCS1 Z1492186731 [0,0,0,1,0,0|2,0,0]=3 161 B10R1.18 O=C(O)CC1OCCCO1 Z1205495524 [0,0,0,1,0,0|2,0,0]=3 162 B10R1.18 O=C(O)CN1CCCCC1 Z1171978832 [0,0,0,1,0,0|1,0,0]=2 163 B10R1.18 O=C(O)CN1CCNCC1 Z2887863329 [0,0,0,1,0,0|2,0,0]=3 164 B10R1.18 O=C(O)CN1CCOCC1 Z1270246390 [0,0,0,1,0,0|2,0,0]=3 165 B10R1.38 CN[C@@H]1CCCC[C@@]1(C)O Z2608856450 [0,0,0,1,0,0|2,0,1]=4 166 B10R1.38 NCC1CCCCS1(=O)=O Z1649677764 [0,0,0,1,0,0|2,0,1]=4 167 B10R1.38 O=S1(=O)CCCCC1CO Z1413785638 [0,0,0,1,0,0|2,0,1]=4 168 B10R1.39 CC(=O)N1CCCC1CN Z5184060281 [0,0,0,1,0,0|3,0,0]=4 169 B10R1.39 CCC1CCCC1C(=O)O Z1205495847 [0,0,0,1,0,0|0,0,0]=1 170 B10R1.39 CCC1CCNC1C(=O)O Z1262517253 [0,0,0,1,0,0|1,0,0]=2 171 B10R1.39 CCC1NCCC1C(=O)O Z2096659316 [0,0,0,1,0,0|1,0,0]=2 172 B10R1.39 CCC1OCCC1C(=O)O Z1318264615 [0,0,0,1,0,0|1,0,0]=2 173 B10R1.39 CC[C@@H]1CCO[C@@H]1C(=O)O Z2525786659 [0,0,0,1,0,0|1,0,0]=2 174 B10R1.39 NC(=O)N1CCC[C@H]1CO Z1203582422 [0,0,0,1,0,0|3,0,0]=4 175 B10R1.39 NCC1OCCC1C(=O)O Z2237698503 [0,0,0,1,0,0|2,0,0]=3 176 B10R1.39 NC[C@H]1CCC[C@H]1C(=O)O Z2213889147 [0,0,0,1,0,0|1,0,0]=2 177 B10R1.39 O=NN1CCC[C@H]1C(=O)O Z1198157871 [0,0,0,1,0,0|3,0,0]=4 178 B10R1.61 CC(=O)C1CCCCC1C Z1276728280 [0,0,0,1,0,0|1,0,0]=2 179 B10R1.61 CC1=C(CCCO1)C(=O)O Z1205494283 [0,0,0,1,0,0|1,0,2]=4 180 B10R1.61 CC1CNCCC1C(=O)O Z1795818158 [0,0,0,1,0,0|1,0,0]=2 181 B10R1.61 CC1COCCC1C(=O)O Z1205496403 [0,0,0,1,0,0|1,0,0]=2 182 B10R1.61 CC1NCCCC1C(=O)O Z1255463358 [0,0,0,1,0,0|1,0,0]=2 183 B10R1.61 CN1CCCCC1C(=O)O Z1259339901 [0,0,0,1,0,0|1,0,0]=2 184 B10R1.61 CN1CCCC[C@@H]1C(=O)O Z1205493960 [0,0,0,1,0,0|1,0,0]=2 185 B10R1.61 CN1CCCC[C@H]1C(=O)O Z1205494199 [0,0,0,1,0,0|1,0,0]=2 186 B10R1.61 CN1CCNCC1C(=O)O Z2679906813 [0,0,0,1,0,0|2,0,0]=3 187 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O Z2309898847 [0,0,0,1,0,0|1,0,0]=2 188 B10R1.61 C[C@@H]1CCNC[C@@H]1C(=O)O Z3247787190 [0,0,0,1,0,0|1,0,0]=2 189 B10R1.61 C[C@@H]1NCCN[C@@H]1C(=O)O Z4444621005 [0,0,0,1,0,0|2,0,0]=3 190 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O Z1913661250 [0,0,0,1,0,0|2,0,0]=3 191 B10R1.61 NC(=O)C1CCCCC1N Z1346385659 [0,0,0,1,0,0|2,0,0]=3 192 B10R1.61 NC(=O)C1CCCCN1O Z4286049345 [0,0,0,1,0,0|3,0,0]=4 193 B10R1.61 NC1CCCCC1C(=O)O Z1374884261 [0,0,0,1,0,0|1,0,0]=2 194 B10R1.61 N[C@@H]1CC=CC[C@@H]1C(=O)O Z2306832325 [0,0,0,1,0,0|1,0,2]=4 195 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O Z2306832317 [0,0,0,1,0,0|1,0,0]=2 196 B10R1.61 O=C(O)C1=C(CCCC1)Cl Z198749560 [0,0,0,1,0,0|1,0,2]=4 197 B10R1.61 O=C(O)C1CCCCC1O Z1080722428 [0,0,0,1,0,0|1,0,0]=2 198 B10R1.61 O=C(O)C1CCNCC1F Z3243524018 [0,0,0,1,0,0|2,0,0]=3 199 B10R1.61 O=C(O)[C@@H]1CCCC[C@H]1O Z3326512742 [0,0,0,1,0,0|1,0,0]=2 200 B10R1.64 CC1CCCC1CC(=O)O Z1198168867 [0,0,0,1,0,0|0,0,0]=1 201 B10R1.64 CC\1CCC/C1=C\C(=O)O Z1205498287 [0,0,0,1,0,0|0,0,2]=3 202 B10R1.64 O=C(O)CN1CCCC1=O Z57980672 [0,0,0,1,0,0|2,0,1]=4 203 B10R1.64 O=C(O)C[C@@H]1CCC[C@H]1O Z2944218660 [0,0,0,1,0,0|1,0,0]=2 204 B10R1.64 O=C(O)C[C@@H]1COC[C@H]1O Z3197133376 [0,0,0,1,0,0|2,0,0]=3 205 B10R1.66 CC(=O)NCC1CCCN1 Z4898465730 [0,0,0,1,0,0|3,0,0]=4 206 B10R1.66 CC(=O)OCC1CCNC1 Z1201627164 [0,0,0,1,0,0|3,0,0]=4 207 B10R1.66 CC(N)CCC1CCCC1 Z1255523280 [0,0,0,1,0,0|2,0,1]=4 208 B10R1.66 NC(=O)CCN1CCCC1 Z1800456308 [0,0,0,1,0,0|2,0,0]=3 209 B10R1.66 NC(=O)CNC1CCCC1 Z90608472 [0,0,0,1,0,0|2,0,0]=3 210 B10R1.66 NC(=O)NCC1CCCC1 Z415672550 [0,0,0,1,0,0|2,0,0]=3 211 B10R1.66 NC(=O)NCC1CCCO1 Z56911934 [0,0,0,1,0,0|3,0,0]=4 212 B10R1.66 O=C(O)C#CC1CCOC1 Z1235950936 [0,0,0,1,0,0|1,0,2]=4 213 B10R1.66 O=C(O)CCC1CCCC1 Z104478044 [0,0,0,1,0,0|0,0,0]=1 214 B10R1.66 O=C(O)CCC1CCCN1 Z2467454523 [0,0,0,1,0,0|1,0,0]=2 215 B10R1.66 O=C(O)CCC1CCCO1 Z362564576 [0,0,0,1,0,0|1,0,0]=2 216 B10R1.66 O=C(O)CCC1CCNC1 Z1198312388 [0,0,0,1,0,0|1,0,0]=2 217 B10R1.66 O=C(O)CCC1CCOC1 Z975825286 [0,0,0,1,0,0|1,0,0]=2 218 B10R1.66 O=C(O)CNC1CCCC1 Z359505658 [0,0,0,1,0,0|1,0,0]=2 219 B10R1.66 O=C(O)COC1CC=CC1 Z3281957273 [0,0,0,1,0,0|1,0,2]=4 220 B10R1.66 O=C(O)COC1CCCC1 Z316258762 [0,0,0,1,0,0|1,0,0]=2 221 B10R1.66 O=C(O)COC1CCNC1 Z4875638894 [0,0,0,1,0,0|2,0,0]=3 222 B10R1.66 O=C(O)COC1CCOC1 Z1138838239 [0,0,0,1,0,0|2,0,0]=3 223 B10R1.66 O=C(O)CSC1CCCC1 Z147646804 [0,0,0,1,0,0|1,0,0]=2 224 B10R1.66 O=C([O-])CCN1CCCC1 Z398513132 [0,0,0,1,0,0|1,0,1]=3 225 B10R1.78 NC1CCCCCCCC1 Z3491522566 [0,0,0,1,0,0|2,0,1]=4 226 B10R1.78 O=C1CCCCCCCC1 Z1255382938 [0,0,0,1,0,0|1,0,0]=2 227 B10R1.78 O=C1CCCCCCCN1 Z1203730756 [0,0,0,1,0,0|1,0,0]=2 228 B10R1.126 O=C(O)CCOCC1CC1 Z332379294 [0,0,0,1,0,0|1,0,0]=2 229 B10R1.133 CNCC1CCCS1(=O)=O Z4219939330 [0,0,0,1,0,0|2,0,1]=4 230 B10R1.133 NCCC1CCCS1(=O)=O Z2681242378 [0,0,0,1,0,0|2,0,1]=4 231 B10R1.133 O=S1(=O)CCCC1CCO Z3302049023 [0,0,0,1,0,0|2,0,1]=4 232 B10R1.177 CCCCCOCC1CO1 Z409358140 [0,0,0,1,0,0|2,0,1]=4 233 B10R1.300 CC1CCNCCS1(=O)=O Z1863617862 [0,0,0,1,0,0|2,0,1]=4 234 B10R1.348 CC(=O)C1CCCCCC1 Z1255452291 [0,0,0,1,0,0|1,0,0]=2 235 B10R1.348 CC(=O)N1CCCCCC1 Z31431946 [0,0,0,1,0,0|2,0,0]=3 236 B10R1.348 CC(=O)N1CCCNCC1 Z166645986 [0,0,0,1,0,0|3,0,0]=4 237 B10R1.348 CC(=O)N1CCCOCC1 Z929561102 [0,0,0,1,0,0|3,0,0]=4 238 B10R1.348 CC(O)C1CCCCCC1 Z1259295583 [0,0,0,1,0,0|1,0,1]=3 239 B10R1.348 C[C@@H](N)C1CCCCCC1 Z1664966379 [0,0,0,1,0,0|2,0,1]=4 240 B10R1.348 C[C@@H](O)C1CCCCCC1 Z1259297220 [0,0,0,1,0,0|1,0,1]=3 241 B10R1.348 C[C@H](N)C1CCCCCC1 Z1675167214 [0,0,0,1,0,0|2,0,1]=4 242 B10R1.348 C[C@H](O)C1CCCCCC1 Z1259297219 [0,0,0,1,0,0|1,0,1]=3 243 B10R1.348 N=C(N)C1CCCCCC1 Z3245416298 [0,0,0,1,0,0|2,0,0]=3 244 B10R1.348 NC(=O)N1CCCCCC1 Z56912098 [0,0,0,1,0,0|2,0,0]=3 245 B10R1.348 O=C(O)C1CCC=CCC1 Z447899262 [0,0,0,1,0,0|0,0,2]=3 246 B10R1.348 O=C(O)C1CCCCCN1 Z1250132361 [0,0,0,1,0,0|1,0,0]=2 247 B10R1.348 O=C(O)C1CCCCNC1 Z2310702448 [0,0,0,1,0,0|1,0,0]=2 248 B10R1.348 O=C(O)C1CCCOCC1 Z1258684735 [0,0,0,1,0,0|1,0,0]=2 249 B10R1.348 O=C(O)C1CNCCCN1 Z2044769174 [0,0,0,1,0,0|2,0,0]=3 250 B7R0.1 CC#CCCCCO Z1233226212 [2,0,0,0,0,0|0,0,2]=4 251 B7R0.1 CCCCCCCO Z104473596 [2,0,0,0,0,0|0,0,0]=2 252 B7R0.1 CCCCCCNC Z5419328797 [2,0,0,0,0,0|1,0,1]=4 253 B7R0.1 CCCCOCCN Z409191398 [2,0,0,0,0,0|2,0,0]=4 254 B7R0.1 CCCOCCCO Z1080358966 [2,0,0,0,0,0|1,0,0]=3 255 B7R0.1 CCOCCCCO Z993012560 [2,0,0,0,0,0|1,0,0]=3 256 B7R0.1 CNCCCCCN Z4097840720 [2,0,0,0,0,0|2,0,0]=4 257 B7R0.1 COCCCCCN Z608347192 [2,0,0,0,0,0|2,0,0]=4 258 B7R0.1 COCCCCCO Z993012416 [2,0,0,0,0,0|1,0,0]=3 259 B7R0.1 COCCNCCO Z266088374 [2,0,0,0,0,0|2,0,0]=4 260 B7R0.1 COCCOCCO Z849748688 [2,0,0,0,0,0|2,0,0]=4 261 B7R0.1 CSCCCCCN Z823285026 [2,0,0,0,0,0|2,0,0]=4 262 B7R0.1 CSCCCCCO Z968557058 [2,0,0,0,0,0|1,0,0]=3 263 B7R0.1 NCCCCCCN Z104473514 [2,0,0,0,0,0|2,0,0]=4 264 B7R0.1 NCCOCCCO Z2044949087 [2,0,0,0,0,0|2,0,0]=4 265 B7R0.1 NCCSCCCO Z406685362 [2,0,0,0,0,0|2,0,0]=4 266 B7R0.1 OCCCCCCBr Z1255398867 [2,0,0,0,0,0|1,0,0]=3 267 B7R0.1 OCCCCCCO Z104473540 [2,0,0,0,0,0|1,0,0]=3 268 B7R0.1 OCCCNCCO Z104654390 [2,0,0,0,0,0|2,0,0]=4 269 B7R0.1 OCCCOCCO Z1373668758 [2,0,0,0,0,0|2,0,0]=4 270 B7R0.1 OCCCSCCO Z149155194 [2,0,0,0,0,0|2,0,0]=4 271 B7R0.4 C=CCCCC(=O)O Z1205493561 [2,0,0,0,0,0|0,0,2]=4 272 B7R0.4 CC#CCCC(=O)O Z1205493674 [2,0,0,0,0,0|0,0,2]=4 273 B7R0.4 CCC/C=C/C(=O)O Z104506794 [2,0,0,0,0,0|0,0,2]=4 274 B7R0.4 CCCCCC(=N)N Z3490473907 [2,0,0,0,0,0|2,0,0]=4 275 B7R0.4 CCCCCC(=O)O Z104503532 [2,0,0,0,0,0|0,0,0]=2 276 B7R0.4 CCCCOC(=O)N Z104476286 [2,0,0,0,0,0|2,0,0]=4 277 B7R0.4 CCCNCC(=O)N Z2211231296 [2,0,0,0,0,0|2,0,0]=4 278 B7R0.4 CCCNCC(=O)O Z744582718 [2,0,0,0,0,0|1,0,0]=3 279 B7R0.4 CCCOCC(=O)O Z406677750 [2,0,0,0,0,0|1,0,0]=3 280 B7R0.4 CCCSCC(=O)C Z447929234 [2,0,0,0,0,0|2,0,0]=4 281 B7R0.4 CCCSCC(=O)O Z228425458 [2,0,0,0,0,0|1,0,0]=3 282 B7R0.4 CCNCCC(=O)N Z2681234913 [2,0,0,0,0,0|2,0,0]=4 283 B7R0.4 CCNCCC(=O)O Z1869802098 [2,0,0,0,0,0|1,0,0]=3 284 B7R0.4 CCOCCC(=O)O Z316258938 [2,0,0,0,0,0|1,0,0]=3 285 B7R0.4 CCSCCC(=O)O Z197206046 [2,0,0,0,0,0|1,0,0]=3 286 B7R0.4 CNCCCC(=O)O Z57043473 [2,0,0,0,0,0|1,0,0]=3 287 B7R0.4 COCCCC(=O)C Z406376722 [2,0,0,0,0,0|2,0,0]=4 288 B7R0.4 COCCCC(=O)O Z316258912 [2,0,0,0,0,0|1,0,0]=3 289 B7R0.4 CSCCCC(=O)O Z54602911 [2,0,0,0,0,0|1,0,0]=3 290 B7R0.4 N#CCCCC(=O)O Z1198152304 [2,0,0,0,0,0|1,0,1]=4 291 B7R0.4 NCCCCC(=O)N Z1639630947 [2,0,0,0,0,0|2,0,0]=4 292 B7R0.4 NCCCCC(=O)O Z271111992 [2,0,0,0,0,0|1,0,0]=3 293 B7R0.4 NCCNCC(=O)O Z2692249907 [2,0,0,0,0,0|2,0,0]=4 294 B7R0.4 NCCOCC(=O)O Z1650039500 [2,0,0,0,0,0|2,0,0]=4 295 B7R0.4 NCCSCC(=O)O Z1381287295 [2,0,0,0,0,0|2,0,0]=4 296 B7R0.4 O=C(O)CCCCBr Z104479696 [2,0,0,0,0,0|1,0,0]=3 297 B7R0.4 O=C(O)CCCCS Z808230828 [2,0,0,0,0,0|1,0,0]=3 298 B7R0.4 O=C(O)CNCCO Z425411352 [2,0,0,0,0,0|2,0,0]=4 299 B7R0.4 O=C([O-])CCCCO Z2335631573 [2,0,0,0,0,0|1,0,1]=4 300 B9R0.5 CCCCCC(O)CCO Z1198158015 [1,1,0,0,0,0|0,0,1]=3 301 B9R0.18 CCCCC(N)CCCC Z5099120554 [1,1,0,0,0,0|1,0,1]=4 302 B9R0.45 CCCCCCCCCO Z104476100 [1,1,0,0,0,0|0,0,1]=3 303 B9R0.45 CCCCCCCNC=O Z1203732044 [1,1,0,0,0,0|0,0,0]=2 304 B9R0.45 CCCCCCNCCO Z137800948 [1,1,0,0,0,0|0,0,1]=3 305 B9R0.45 CCCCOCCCCO Z993012624 [1,1,0,0,0,0|0,0,1]=3 306 B9R0.45 NCCCCCCCCN Z1203577927 [1,1,0,0,0,0|1,0,1]=4 307 B9R0.45 NCCCCCCCCO Z4745386600 [1,1,0,0,0,0|0,0,1]=3 308 B9R0.45 OCCCCCOCCO Z1897250794 [1,1,0,0,0,0|1,0,1]=4 309 B9R0.46 CCCCCCC(C)CO Z1238840360 [1,1,0,0,0,0|0,0,1]=3 310 B9R0.46 CCCCCCC(C)NN Z1691545122 [1,1,0,0,0,0|2,0,0]=4 311 B9R0.46 CCCCCCC(C)OC Z1416182763 [1,1,0,0,0,0|2,0,0]=4 312 B9R0.46 CCCCCCC(N)CC Z5869944669 [1,1,0,0,0,0|1,0,1]=4 313 B9R0.1 CCC(=O)NCCC(=O)O Z85914366 [1,1,0,0,0,0|1,0,1]=4 314 B9R0.1 COC(=O)CCCC(=O)O Z203045008 [1,1,0,0,0,0|1,0,1]=4 315 B9R0.4 CC(CC(=O)O)NCCO Z431539096 [1,1,0,0,0,0|2,0,0]=4 316 B9R0.47 C#CCCCC(N)C(=O)O Z3325155760 [1,1,0,0,0,0|0,0,2]=4 317 B9R0.47 C=CCCCC(N)C(=O)O Z2906280520 [1,1,0,0,0,0|0,0,2]=4 318 B9R0.47 CC(CSCCN)C(=O)O Z2379806326 [1,1,0,0,0,0|2,0,0]=4 319 B9R0.47 CCC/C=C/C(O)C(=O)O Z2681277218 [1,1,0,0,0,0|0,0,2]=4 320 B9R0.47 CCCCCC(O)C(=O)O Z788000584 [1,1,0,0,0,0|0,0,0]=2 321 B9R0.47 CCCCOC(C)C(=O)O Z409190966 [1,1,0,0,0,0|1,0,0]=3 322 B9R0.47 CCCCSC(C)C(=O)O Z149191762 [1,1,0,0,0,0|1,0,0]=3 323 B9R0.47 CCCSCC(N)C(=O)O Z444349874 [1,1,0,0,0,0|1,0,0]=3 324 B9R0.47 COCCCC(N)C(=O)O Z1428160326 [1,1,0,0,0,0|1,0,0]=3 325 B9R0.47 COCCOC(C)C(=O)O Z316259198 [1,1,0,0,0,0|2,0,0]=4 326 B9R0.47 CSCCCC(N)C(=O)O Z3274997631 [1,1,0,0,0,0|1,0,0]=3 327 B9R0.47 NCCCCC(N)C(=O)O Z57127389 [1,1,0,0,0,0|1,0,0]=3 328 B9R0.47 NCCCC[C@H](N)C(=O)O Z812534818 [1,1,0,0,0,0|1,0,0]=3 329 B9R0.48 CCCC(=O)NCC(=O)O Z285193236 [1,1,0,0,0,0|1,0,1]=4 330 B9R0.48 CCCN(C)CCC(=O)O Z1259273124 [1,1,0,0,0,0|1,0,0]=3 331 B9R0.48 CCNC(=O)CCC(=O)O Z90312637 [1,1,0,0,0,0|1,0,1]=4 332 B9R0.48 CCOC(=O)CCC(=O)O Z56896764 [1,1,0,0,0,0|1,0,1]=4 333 B9R0.48 CN(CCO)CCC(=O)O Z53116523 [1,1,0,0,0,0|2,0,0]=4 334 B9R0.48 COCC(C)NCC(=O)O Z1259273105 [1,1,0,0,0,0|2,0,0]=4 335 B9R0.55 CC(C)CCCCC(=O)O Z1198148498 [1,1,0,0,0,0|0,0,0]=2 336 B9R0.55 CC(C)CCOCC(=O)O Z316259082 [1,1,0,0,0,0|1,0,0]=3 337 B9R0.55 CC(C)CCSCC(=O)O Z228589154 [1,1,0,0,0,0|1,0,0]=3 338 B9R0.55 CC(C)CNCCC(=O)O Z594038396 [1,1,0,0,0,0|1,0,0]=3 339 B9R0.55 CC(C)COCCC(=O)O Z316259216 [1,1,0,0,0,0|1,0,0]=3 340 B9R0.55 CC(C)CSCCC(=O)O Z54708723 [1,1,0,0,0,0|1,0,0]=3 341 B9R0.55 CC(C)NCCCC(=O)O Z235348217 [1,1,0,0,0,0|1,0,0]=3 342 B9R0.55 CC(C)OCCCC(=O)O Z316259254 [1,1,0,0,0,0|1,0,0]=3 343 B9R0.55 CC(N)CCCCC(=O)O Z1276446933 [1,1,0,0,0,0|0,0,0]=2 344 B9R0.55 CN(C)CCCCC(=O)O Z1259273153 [1,1,0,0,0,0|1,0,0]=3 345 B9R0.55 NC(=O)CCCCC(=O)O Z429601664 [1,1,0,0,0,0|1,0,1]=4 346 B9R0.55 O=C(O)CCCCC(=O)O Z57127533 [1,1,0,0,0,0|1,0,1]=4 347 B9R0.55 O=C(O)CCOCC(F)F Z1375308185 [1,1,0,0,0,0|2,0,0]=4 348 B11R0.6 CC(=CCCC(C)CC(=O)O)C Z1255423445 [0,2,0,0,0,0|0,0,2]=4 349 B11R0.6 CC(C)CC(=O)NCCC(=O)O Z85914385 [0,2,0,0,0,0|1,0,1]=4 350 B11R0.6 CC(C)CC(C)OCCC(=O)O Z316259344 [0,2,0,0,0,0|1,0,0]=3 351 B11R0.6 CC(C)CCOC(=O)CC(=O)O Z4496883142 [0,2,0,0,0,0|1,0,1]=4 352 B11R0.6 CC(C)NC(=O)CCCC(=O)O Z90423232 [0,2,0,0,0,0|1,0,1]=4 353 B11R0.59 CCCC(C)N(C)CCC(=O)O Z1465347640 [0,2,0,0,0,0|1,0,0]=3 354 B11R0.104 COCC(C)(C)CNCC(=O)O Z2120313572 [0,2,0,0,0,0|2,0,0]=4 355 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O Z1741979091 [0,2,0,0,0,0|1,0,1]=4 356 B11R0.147 CCCNC(=O)CCCC(=O)O Z90423792 [0,2,0,0,0,0|0,0,1]=3 357 B11R0.147 NCCCC(=O)NCCC(=O)O Z760082260 [0,2,0,0,0,0|1,0,1]=4 358 B11R0.2 CCCCCCC(C)CC(=O)O Z362824108 [0,2,0,0,0,0|0,0,0]=2 359 B11R0.2 CCCCCCN(C)CC(=O)O Z1259273334 [0,2,0,0,0,0|0,0,0]=2 360 B11R0.30 CC(=O)CCCCCCC(=O)C Z1198162235 [0,2,0,0,0,0|1,0,0]=3 361 B11R0.30 CC(=O)CCCCCCC(=O)O Z1262510893 [0,2,0,0,0,0|0,0,0]=2 362 B11R0.30 CC(=O)NCCCCCC(=O)N Z68591091 [0,2,0,0,0,0|1,0,1]=4 363 B11R0.30 CC(=O)NCCCCCC(=O)O Z56914861 [0,2,0,0,0,0|0,0,1]=3 364 B11R0.30 CC(C)CCNCCCC(=O)O Z1696091863 [0,2,0,0,0,0|0,0,0]=2 365 B11R0.30 NC(=O)NCCCCCC(=O)O Z90122369 [0,2,0,0,0,0|1,0,1]=4 366 B11R0.30 O=C(O)CCCCCCC(=O)O Z104473456 [0,2,0,0,0,0|0,0,1]=3 367 B11R0.40 C=CC(=O)OCCCCCCO Z1862027236 [0,2,0,0,0,0|2,0,0]=4 368 B11R0.40 CCCCOCCNC(=O)CCl Z730584898 [0,2,0,0,0,0|2,0,0]=4 369 B11R0.40 COC(=O)CCCCCCCN Z1416203196 [0,2,0,0,0,0|0,0,0]=2 370 B11R0.42 C#CCCCCCC(N)C(=O)O Z4920921873 [0,2,0,0,0,0|0,0,1]=3 371 B11R0.42 CCOCCNCC(C)C(=O)O Z1270387257 [0,2,0,0,0,0|1,0,0]=3 372 B11R0.42 CCSCCSCC(=O)N(C)O Z2683009509 [0,2,0,0,0,0|2,0,0]=4 373 B11R0.46 CCCCCN(C)CCC(=O)O Z1459932154 [0,2,0,0,0,0|0,0,0]=2 374 B11R0.46 NCCCCC(=O)NCC(=O)O Z1188070459 [0,2,0,0,0,0|1,0,1]=4 375 B11R0.111 CCC(N)COCCCC(=O)O Z5332674953 [0,2,0,0,0,0|0,0,0]=2 376 B11R0.148 C#CCOCCOCCC(=O)O Z2235772112 [0,2,0,0,0,0|0,0,2]=4 377 B11R0.148 CCCCCCCCCC(=O)O Z104474944 [0,2,0,0,0,0|0,0,0]=2 378 B11R0.148 CCCCCCCCNC(=O)C Z1509141066 [0,2,0,0,0,0|1,0,0]=3 379 B11R0.148 CCCCCCCNCC(=O)O Z1259273296 [0,2,0,0,0,0|0,0,0]=2 380 B11R0.148 CNCCCNCCCC(=O)O Z1537009544 [0,2,0,0,0,0|0,0,0]=2 381 B11R0.176 CCOC(=O)NCCCC(=O)O Z64436827 [0,2,0,0,0,0|1,0,1]=4 382 B11R0.176 NCCC(=O)NCCCC(=O)O Z760082992 [0,2,0,0,0,0|1,0,1]=4 383 B11R0.154 CCCCCC(C)NC(=O)CCl Z147647962 [0,2,0,0,0,0|2,0,0]=4 384 B11R0.324 CCCCCS(=O)(=O)CC(=O)O Z295402342 [0,2,0,0,0,0|1,0,0]=3 385 B11R0.31 CC(C)(C)CCCCCC(=O)O Z1201618722 [0,2,0,0,0,0|0,0,0]=2 386 B11R0.31 CC(C)(N)COCCCC(=O)O Z5198712733 [0,2,0,0,0,0|1,0,0]=3 387 B11R0.31 NS(=O)(=O)CCCCCC(=O)O Z1262522340 [0,2,0,0,0,0|2,0,0]=4 388 B11R0.22 CCN(CC)CCNCC(=O)O Z406680012 [0,2,0,0,0,0|2,0,0]=4 389 B11R0.22 CCN(CC)CCSCC(=O)O Z1695703940 [0,2,0,0,0,0|2,0,0]=4 390 B11R0.29 CC(=O)C(C)CCCCC(=O)O Z1262513809 [0,2,0,0,0,0|0,0,1]=3 391 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O Z3661982306 [0,2,0,0,0,0|1,0,1]=4 392 B11R0.106 COC(=O)CCCCC(=O)OC Z104475818 [0,2,0,0,0,0|1,0,1]=4 393 B11R0.4 CCCCCCNC(=O)CC#N Z169918902 [0,2,0,0,0,0|2,0,0]=4 394 B11R0.4 CCOC(=O)CCCCCCN Z444311558 [0,2,0,0,0,0|1,0,0]=3 395 B11R0.142 CCSCCSC(C)C(=O)OC Z1328949676 [0,2,0,0,0,0|2,0,0]=4 396 B11R0.76 CCCCCCC(CC)C(=O)O Z756391282 [0,2,0,0,0,0|0,0,0]=2 397 B11R0.76 CCCCCCC(NC)C(=O)O Z446011802 [0,2,0,0,0,0|0,0,0]=2 398 B11R0.125 CCCCCCC(C)(N)C(=O)O Z362825342 [0,2,0,0,0,0|0,0,0]=2 399 B11R0.163 CCCCS(=O)C[C@H](N)C(=O)O Z1198151261 [0,2,0,0,0,0|1,0,0]=3 400 B11R0.85 CC(C)CCC(=O)NCC(=O)O Z351723094 [0,2,0,0,0,0|1,0,1]=4 401 B11R0.85 CC(N)CCC(=O)NCC(=O)O Z1190333059 [0,2,0,0,0,0|1,0,1]=4 402 B11R0.164 CCCCC(C#N)SCC(=O)N Z3341492644 [0,2,0,0,0,0|2,0,0]=4 403 B11R0.219 CCCCS(=O)(=O)NCC(=O)O Z45658593 [0,2,0,0,0,0|2,0,0]=4 404 B9R1.5 CC1CCCCNC1=O Z1198181151 [1,0,0,1,0,0|1,0,0]=3 405 B9R1.5 CC1CCNCCS1=O Z1860991527 [1,0,0,1,0,0|2,0,0]=4 406 B9R1.5 CC1NCCCNC1=O Z1203829873 [1,0,0,1,0,0|2,0,0]=4 407 B9R1.5 CN1CCCNCC1=O Z1198179782 [1,0,0,1,0,0|2,0,0]=4 408 B9R1.5 NC1CCCCCC1=O Z2213893401 [1,0,0,1,0,0|1,0,0]=3 409 B9R1.5 NC1CCCCNC1=O Z281895050 [1,0,0,1,0,0|2,0,0]=4 410 B9R1.5 N[C@@H]1CCCCC[C@H]1O Z1198180675 [1,0,0,1,0,0|1,0,1]=4 411 B9R1.5 O=C1CCCCCC1Cl Z223607164 [1,0,0,1,0,0|1,0,0]=3 412 B9R1.5 O=C1NCCCCC1Br Z220343714 [1,0,0,1,0,0|2,0,0]=4 413 B9R1.8 C=CCC1CCCCN1 Z3976272491 [1,0,0,1,0,0|2,0,0]=4 414 B9R1.8 CCCC1CCCCN1 Z1665033554 [1,0,0,1,0,0|1,0,1]=4 415 B9R1.8 CCCC1CCCNC1 Z1404660494 [1,0,0,1,0,0|2,0,0]=4 416 B9R1.8 CCCC1CNCCO1 Z1203829779 [1,0,0,1,0,0|1,0,1]=4 417 B9R1.8 CCOC1CCC=CO1 Z104478848 [1,0,0,1,0,0|1,0,1]=4 418 B9R1.8 CNCC1CCCCC1 Z102767074 [1,0,0,1,0,0|2,0,0]=4 419 B9R1.8 N#CCC1CCCCC1 Z295382924 [1,0,0,1,0,0|1,0,1]=4 420 B9R1.8 NCCC1CCCCC1 Z367451182 [1,0,0,1,0,0|1,0,1]=4 421 B9R1.8 NCCC1CCCCO1 Z432420620 [1,0,0,1,0,0|1,0,1]=4 422 B9R1.8 O=CC=C1CCCCC1 Z1251356876 [1,0,0,1,0,0|0,0,2]=4 423 B9R1.8 O=CCC1CCCCC1 Z993017728 [1,0,0,1,0,0|0,0,0]=2 424 B9R1.8 O=CCC1CCCCO1 Z1511748073 [1,0,0,1,0,0|1,0,0]=3 425 B9R1.8 O=CCC1CCCOC1 Z1198309923 [1,0,0,1,0,0|1,0,0]=3 426 B9R1.8 O=CCC1CCOCC1 Z1178491139 [1,0,0,1,0,0|1,0,0]=3 427 B9R1.8 OCCC1CCCCC1 Z397587116 [1,0,0,1,0,0|0,0,1]=3 428 B9R1.8 OCCC1CCCCO1 Z1198184633 [1,0,0,1,0,0|1,0,1]=4 429 B9R1.8 OCCC1CCCNC1 Z1263820461 [1,0,0,1,0,0|1,0,1]=4 430 B9R1.8 OCCC1CCCOC1 Z1198309922 [1,0,0,1,0,0|1,0,1]=4 431 B9R1.8 OCCC1CCNCC1 Z336087886 [1,0,0,1,0,0|1,0,1]=4 432 B9R1.8 OCCC1CCOCC1 Z1178491138 [1,0,0,1,0,0|1,0,1]=4 433 B9R1.8 OCCN1CCCCC1 Z104479032 [1,0,0,1,0,0|1,0,1]=4 434 B9R1.12 C=CCNC1CCCC1 Z607822410 [1,0,0,1,0,0|2,0,0]=4 435 B9R1.12 CCCCC1CCCN1 Z3244909133 [1,0,0,1,0,0|1,0,1]=4 436 B9R1.12 CCNCC1CCCO1 Z810541800 [1,0,0,1,0,0|1,0,1]=4 437 B9R1.12 CNCCC1CCCO1 Z1801307836 [1,0,0,1,0,0|1,0,1]=4 438 B9R1.12 NCCCC1CCCC1 Z744843730 [1,0,0,1,0,0|1,0,1]=4 439 B9R1.12 O=CCCC1CCCC1 Z993017672 [1,0,0,1,0,0|0,0,0]=2 440 B9R1.12 O=CCCC1CCCO1 Z993017666 [1,0,0,1,0,0|1,0,0]=3 441 B9R1.12 O=CCCC1CCOC1 Z1198305626 [1,0,0,1,0,0|1,0,0]=3 442 B9R1.12 O=CCCC1OCCO1 Z1198155855 [1,0,0,1,0,0|2,0,0]=4 443 B9R1.12 OCCCC1CCCN1 Z979444798 [1,0,0,1,0,0|1,0,1]=4 444 B9R1.12 OCCCC1CCCO1 Z993012576 [1,0,0,1,0,0|1,0,1]=4 445 B9R1.12 OCCNC1CCCC1 Z1162448840 [1,0,0,1,0,0|1,0,1]=4 446 B9R1.12 OCCOC1CCCC1 Z362785380 [1,0,0,1,0,0|1,0,1]=4 447 B9R1.15 CC1CC=CCC1C=O Z1201621350 [1,0,0,1,0,0|0,0,2]=4 448 B9R1.15 CC1CCCCC1C#N Z415654838 [1,0,0,1,0,0|1,0,1]=4 449 B9R1.15 CC1CCCCC1C=O Z1268606365 [1,0,0,1,0,0|0,0,0]=2 450 B9R1.15 CC1CCCCC1CN Z415655074 [1,0,0,1,0,0|1,0,1]=4 451 B9R1.15 CCC1CCCCC1N Z368844574 [1,0,0,1,0,0|1,0,1]=4 452 B9R1.15 CCC1CCCCC1O Z104476198 [1,0,0,1,0,0|0,0,1]=3 453 B9R1.15 CCC1CCCNC1=O Z1203731521 [1,0,0,1,0,0|1,0,0]=3 454 B9R1.15 CCC1NCCNC1=O Z57663834 [1,0,0,1,0,0|2,0,0]=4 455 B9R1.15 CCN1CCCNC1=O Z1203733831 [1,0,0,1,0,0|2,0,0]=4 456 B9R1.15 CCN1CCNCC1=O Z975809904 [1,0,0,1,0,0|2,0,0]=4 457 B9R1.15 CNC1CCCCC1C Z324553050 [1,0,0,1,0,0|2,0,0]=4 458 B9R1.15 CNC1CCCNC1=O Z1795818556 [1,0,0,1,0,0|2,0,0]=4 459 B9R1.15 COC1CCCCC1O Z425453594 [1,0,0,1,0,0|1,0,1]=4 460 B9R1.15 CO[C@@H]1CCCC[C@H]1O Z3344357599 [1,0,0,1,0,0|1,0,1]=4 461 B9R1.15 CSC1CCCCC1=O Z732208578 [1,0,0,1,0,0|1,0,0]=3 462 B9R1.15 C[C@@H]1CCCN[C@@H]1CO Z2737203189 [1,0,0,1,0,0|1,0,1]=4 463 B9R1.15 C[C@@H]1NCCC[C@@H]1CO Z5613103409 [1,0,0,1,0,0|1,0,1]=4 464 B9R1.15 N#CC1CCCCC1=O Z1137167009 [1,0,0,1,0,0|1,0,1]=4 465 B9R1.15 NCC1CCCCC1O Z409444222 [1,0,0,1,0,0|1,0,1]=4 466 B9R1.15 NCC1CCCNC1=O Z2289798362 [1,0,0,1,0,0|2,0,0]=4 467 B9R1.15 NC[C@@H]1CCCC[C@@H]1O Z2306746656 [1,0,0,1,0,0|1,0,1]=4 468 B9R1.15 O=C1NCCCC1CO Z1203732010 [1,0,0,1,0,0|2,0,0]=4 469 B9R1.15 O=CC1CCCCC1F Z1813140630 [1,0,0,1,0,0|1,0,0]=3 470 B9R1.15 OCC1CCCCC1O Z1198163949 [1,0,0,1,0,0|1,0,1]=4 471 B9R1.16 CC1CC1CCCC=O Z3271342479 [1,0,0,1,0,0|0,0,0]=2 472 B9R1.17 NCCCCC1CCC1 Z5398432947 [1,0,0,1,0,0|1,0,1]=4 473 B9R1.17 OCCCNC1CCC1 Z859816160 [1,0,0,1,0,0|1,0,1]=4 474 B9R1.17 OCCOCC1CCC1 Z2256067074 [1,0,0,1,0,0|1,0,1]=4 475 B9R1.33 C=CCC1CCCC1N Z993059006 [1,0,0,1,0,0|2,0,0]=4 476 B9R1.33 CCNC1CCNC1=O Z1998636522 [1,0,0,1,0,0|2,0,0]=4 477 B9R1.33 CCN[C@@H]1CCC[C@H]1O Z1796000613 [1,0,0,1,0,0|1,0,1]=4 478 B9R1.33 CN1CCCC1CCO Z607750234 [1,0,0,1,0,0|1,0,1]=4 479 B9R1.33 CNCC1CCCC1O Z1268477814 [1,0,0,1,0,0|1,0,1]=4 480 B9R1.33 NC1CCCC1CCO Z1509036975 [1,0,0,1,0,0|1,0,1]=4 481 B9R1.33 NCC[C@@H]1CCC[C@@H]1O Z4317048669 [1,0,0,1,0,0|1,0,1]=4 482 B9R1.33 NCC[C@@H]1CCC[C@H]1O Z3272980752 [1,0,0,1,0,0|1,0,1]=4 483 B9R1.33 O=C1CCCC1CCF Z1416228589 [1,0,0,1,0,0|1,0,0]=3 484 B9R1.33 O=C1CCCN1CCO Z104478410 [1,0,0,1,0,0|2,0,0]=4 485 B9R1.33 O=C1NCCC1CCO Z1203745921 [1,0,0,1,0,0|2,0,0]=4 486 B9R1.50 CC1CCCCCCN1 Z3487835965 [1,0,0,1,0,0|1,0,1]=4 487 B9R1.50 NC1CCCCCCC1 Z104478188 [1,0,0,1,0,0|1,0,1]=4 488 B9R1.50 O=C1CCCCCCC1 Z104474712 [1,0,0,1,0,0|0,0,0]=2 489 B9R1.50 O=C1CCCCNCC1 Z5186715583 [1,0,0,1,0,0|1,0,0]=3 490 B9R1.50 O=C1CCNCCCN1 Z1262578602 [1,0,0,1,0,0|2,0,0]=4 491 B9R1.50 OC1CCCCCCC1 Z104472780 [1,0,0,1,0,0|0,0,1]=3 492 B9R1.83 C=CCCCCC1CO1 Z1255356056 [1,0,0,1,0,0|2,0,0]=4 493 B9R1.83 CCCCCCC1CO1 Z1020680070 [1,0,0,1,0,0|0,0,1]=3 494 B9R1.83 CCCCOCC1CO1 Z409191626 [1,0,0,1,0,0|1,0,1]=4 495 B9R1.83 O=CCCCCC1CC1 Z3002702510 [1,0,0,1,0,0|0,0,0]=2 496 B9R1.83 O=CCCOCC1CC1 Z1080366652 [1,0,0,1,0,0|1,0,0]=3 497 B9R1.83 OCCCCNC1CC1 Z839096664 [1,0,0,1,0,0|1,0,1]=4 498 B9R1.89 CCC1CCCCCN1 Z992736884 [1,0,0,1,0,0|1,0,1]=4 499 B9R1.89 CCC1CCNCCO1 Z3275232542 [1,0,0,1,0,0|1,0,1]=4 500 B9R1.89 CNC1CCCCCC1 Z102766800 [1,0,0,1,0,0|2,0,0]=4 501 B9R1.89 NCC1C=CCCCC1 Z3443270742 [1,0,0,1,0,0|2,0,0]=4 502 B9R1.89 NCC1CCCCCC1 Z415655096 [1,0,0,1,0,0|1,0,1]=4 503 B9R1.89 O=CC1=CCCCCC1 Z1190318867 [1,0,0,1,0,0|0,0,2]=4 504 B9R1.89 O=CC1CCCCCC1 Z1079442748 [1,0,0,1,0,0|0,0,0]=2 505 B9R1.89 O=CC1CCCOCC1 Z1268606450 [1,0,0,1,0,0|1,0,0]=3 506 B9R1.89 O=CC1COCCOC1 Z1813175634 [1,0,0,1,0,0|2,0,0]=4 507 B9R1.89 O=CN1CCCNCC1 Z104510266 [1,0,0,1,0,0|2,0,0]=4 508 B9R1.89 OCC1CCCCCC1 Z992928672 [1,0,0,1,0,0|0,0,1]=3 509 B9R1.89 OCC1CCCCNC1 Z1318147457 [1,0,0,1,0,0|1,0,1]=4 510 B9R1.103 C1CCCCNCCC1 Z1203730912 [1,0,0,1,0,0|1,0,1]=4 511 B9R1.2 CCC1CC(=O)CCO1 Z1192338795 [1,0,0,1,0,0|2,0,0]=4 512 B9R1.2 CCC1CCCC(=O)C1 Z1201627363 [1,0,0,1,0,0|1,0,0]=3 513 B9R1.2 CCC1CCCC(C1)O Z1192057272 [1,0,0,1,0,0|1,0,1]=4 514 B9R1.2 CCC1CCNC(=O)C1 Z1203732244 [1,0,0,1,0,0|2,0,0]=4 515 B9R1.2 COC1CCCC(=O)N1 Z1203731823 [1,0,0,1,0,0|2,0,0]=4 516 B9R1.2 O=C1CCCC(N1)CO Z1198313433 [1,0,0,1,0,0|2,0,0]=4 517 B9R1.6 CC(=O)C1CCCCN1 Z1954800414 [1,0,0,1,0,0|2,0,0]=4 518 B9R1.6 CC(=O)C1CCCOC1 Z1259153006 [1,0,0,1,0,0|2,0,0]=4 519 B9R1.6 CC(=O)C1CCNCC1 Z1741977299 [1,0,0,1,0,0|2,0,0]=4 520 B9R1.6 CC(=O)C1CCOCC1 Z1178490124 [1,0,0,1,0,0|2,0,0]=4 521 B9R1.6 CC(=O)[C@@H]1CCCCN1 Z1618016835 [1,0,0,1,0,0|2,0,0]=4 522 B9R1.6 CC(=O)[C@H]1CCCCN1 Z2234185612 [1,0,0,1,0,0|2,0,0]=4 523 B9R1.6 CC(O)C1CCCCC1 Z445987098 [1,0,0,1,0,0|1,0,1]=4 524 B9R1.6 C[C@@H](O)C1CCCCC1 Z959151676 [1,0,0,1,0,0|1,0,1]=4 525 B9R1.6 N=C(N)C1CCCCC1 Z317027412 [1,0,0,1,0,0|2,0,0]=4 526 B9R1.6 NC(=O)C1CCCCC1 Z33546516 [1,0,0,1,0,0|1,0,0]=3 527 B9R1.6 NC(=O)C1CCCCN1 Z90122010 [1,0,0,1,0,0|2,0,0]=4 528 B9R1.6 NC(=O)C1CCCNC1 Z85932258 [1,0,0,1,0,0|2,0,0]=4 529 B9R1.6 NC(=O)C1CCNCC1 Z1450533743 [1,0,0,1,0,0|2,0,0]=4 530 B9R1.6 NC(=O)C1CCOCC1 Z82670321 [1,0,0,1,0,0|2,0,0]=4 531 B9R1.6 NC(=O)N1CCCCC1 Z56917364 [1,0,0,1,0,0|2,0,0]=4 532 B9R1.6 O=C(O)C1C=CCCC1 Z57127330 [1,0,0,1,0,0|0,0,2]=4 533 B9R1.6 O=C(O)C1CC=CCC1 Z57921336 [1,0,0,1,0,0|0,0,2]=4 534 B9R1.6 O=C(O)C1CCCCC1 Z104475698 [1,0,0,1,0,0|0,0,0]=2 535 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [1,0,0,1,0,0|1,0,0]=3 536 B9R1.6 O=C(O)C1CCCCO1 Z963633098 [1,0,0,1,0,0|1,0,0]=3 537 B9R1.6 O=C(O)C1CCCNC1 Z324553206 [1,0,0,1,0,0|1,0,0]=3 538 B9R1.6 O=C(O)C1CCCOC1 Z445214062 [1,0,0,1,0,0|1,0,0]=3 539 B9R1.6 O=C(O)C1CCCSC1 Z1198485079 [1,0,0,1,0,0|1,0,0]=3 540 B9R1.6 O=C(O)C1CCCSS1 Z1262517456 [1,0,0,1,0,0|2,0,0]=4 541 B9R1.6 O=C(O)C1CCNCC1 Z104474390 [1,0,0,1,0,0|1,0,0]=3 542 B9R1.6 O=C(O)C1CCOCC1 Z85923421 [1,0,0,1,0,0|1,0,0]=3 543 B9R1.6 O=C(O)C1CCSCC1 Z826531634 [1,0,0,1,0,0|1,0,0]=3 544 B9R1.6 O=C(O)C1CCSCN1 Z1235963996 [1,0,0,1,0,0|2,0,0]=4 545 B9R1.6 O=C(O)C1CNCCN1 Z1273089259 [1,0,0,1,0,0|2,0,0]=4 546 B9R1.6 O=C(O)C1COCCN1 Z1255387606 [1,0,0,1,0,0|2,0,0]=4 547 B9R1.6 O=C(O)C1COCCO1 Z362763682 [1,0,0,1,0,0|2,0,0]=4 548 B9R1.6 O=C(O)C1CSCCS1 Z147642878 [1,0,0,1,0,0|2,0,0]=4 549 B9R1.6 O=C(O)C1SCCCS1 Z275241266 [1,0,0,1,0,0|2,0,0]=4 550 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [1,0,0,1,0,0|1,0,0]=3 551 B9R1.6 OB(O)C1CCCCC1 Z56789446 [1,0,0,1,0,0|1,0,1]=4 552 B9R1.7 CCCC1CNC(=O)C1 Z1201628058 [1,0,0,1,0,0|2,0,0]=4 553 B9R1.7 CNCC1COC(=O)O1 Z3827160287 [1,0,0,1,0,0|2,0,0]=4 554 B9R1.7 CNC[C@@H]1CCC(=O)N1 Z2941365002 [1,0,0,1,0,0|2,0,0]=4 555 B9R1.13 CC(=O)CC1CCCO1 Z513734588 [1,0,0,1,0,0|2,0,0]=4 556 B9R1.13 CC(=O)CC1CCOC1 Z1321971717 [1,0,0,1,0,0|2,0,0]=4 557 B9R1.13 CC(=O)NC1CCCC1 Z32413858 [1,0,0,1,0,0|2,0,0]=4 558 B9R1.13 N=C(N)CC1CCCC1 Z2092177104 [1,0,0,1,0,0|2,0,0]=4 559 B9R1.13 NC(=O)CC1CCCC1 Z33546662 [1,0,0,1,0,0|1,0,0]=3 560 B9R1.13 NC(=O)CC1CCCN1 Z1459435572 [1,0,0,1,0,0|2,0,0]=4 561 B9R1.13 NC(=O)CN1CCCC1 Z1184886892 [1,0,0,1,0,0|2,0,0]=4 562 B9R1.13 NC(=O)NC1CCCC1 Z56896930 [1,0,0,1,0,0|2,0,0]=4 563 B9R1.13 O=C(O)C=C1CCCC1 Z352748244 [1,0,0,1,0,0|0,0,2]=4 564 B9R1.13 O=C(O)CC1C=CCC1 Z104507506 [1,0,0,1,0,0|0,0,2]=4 565 B9R1.13 O=C(O)CC1CCCC1 Z104477042 [1,0,0,1,0,0|0,0,0]=2 566 B9R1.13 O=C(O)CC1CCCN1 Z1480642793 [1,0,0,1,0,0|1,0,0]=3 567 B9R1.13 O=C(O)CC1CCNC1 Z1863617764 [1,0,0,1,0,0|1,0,0]=3 568 B9R1.13 O=C(O)CC1CCOC1 Z825745916 [1,0,0,1,0,0|1,0,0]=3 569 B9R1.13 O=C(O)CC1OCCO1 Z1205496445 [1,0,0,1,0,0|2,0,0]=4 570 B9R1.13 O=C(O)CN1CCCC1 Z197269292 [1,0,0,1,0,0|1,0,0]=3 571 B9R1.13 O=C(O)C[C@@H]1CCCO1 Z1862025858 [1,0,0,1,0,0|1,0,0]=3 572 B9R1.13 O=C(O)C[C@H]1CCOC1 Z1205495408 [1,0,0,1,0,0|1,0,0]=3 573 B9R1.13 OB(O)CC1CCCC1 Z1147227856 [1,0,0,1,0,0|1,0,1]=4 574 B9R1.40 CC1CCCCC1(C)O Z449370784 [1,0,0,1,0,0|1,0,1]=4 575 B9R1.41 CC1=C(CCC1)C(=O)O Z1205493763 [1,0,0,1,0,0|0,0,2]=4 576 B9R1.41 CC1CCCC1C(=O)O Z1205493876 [1,0,0,1,0,0|0,0,0]=2 577 B9R1.41 CC1CCNC1C(=O)O Z1708090072 [1,0,0,1,0,0|1,0,0]=3 578 B9R1.41 CC1NCCC1C(=O)O Z2009848190 [1,0,0,1,0,0|1,0,0]=3 579 B9R1.41 CC1OCCC1C(=O)O Z1263714390 [1,0,0,1,0,0|1,0,0]=3 580 B9R1.41 CN1CCCC1C(=O)O Z424762078 [1,0,0,1,0,0|1,0,0]=3 581 B9R1.41 CN1CCC[C@@H]1C(=O)O Z1205493803 [1,0,0,1,0,0|1,0,0]=3 582 B9R1.41 CN1CSCC1C(=O)O Z3069281046 [1,0,0,1,0,0|2,0,0]=4 583 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)N Z2235592159 [1,0,0,1,0,0|2,0,0]=4 584 B9R1.41 NC(=O)C1CCCC1N Z1203642185 [1,0,0,1,0,0|2,0,0]=4 585 B9R1.41 NC(=O)[C@H]1CCC[C@H]1N Z2311233523 [1,0,0,1,0,0|2,0,0]=4 586 B9R1.41 NC1CCCC1C(=O)O Z1250132738 [1,0,0,1,0,0|1,0,0]=3 587 B9R1.41 NN1CCC[C@@H]1C(=O)O Z1205495541 [1,0,0,1,0,0|2,0,0]=4 588 B9R1.41 NN1CCC[C@H]1C(=O)O Z1205494129 [1,0,0,1,0,0|2,0,0]=4 589 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Z2568674579 [1,0,0,1,0,0|1,0,0]=3 590 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)O Z2937968219 [1,0,0,1,0,0|2,0,0]=4 591 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Z2327569946 [1,0,0,1,0,0|1,0,0]=3 592 B9R1.41 O=C(O)C1CCCC1O Z1080722426 [1,0,0,1,0,0|1,0,0]=3 593 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F Z3305005618 [1,0,0,1,0,0|2,0,0]=4 594 B9R1.48 CC1COCCC(=O)N1 Z1203833663 [1,0,0,1,0,0|2,0,0]=4 595 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O Z2310055381 [1,0,0,1,0,0|0,0,0]=2 596 B9R1.59 CCOC1CC1C(=O)O Z432051730 [1,0,0,1,0,0|1,0,0]=3 597 B9R1.67 CC1CCN1CC(=O)O Z2177030978 [1,0,0,1,0,0|1,0,0]=3 598 B9R1.67 NC1CCC1CC(=O)O Z4080002320 [1,0,0,1,0,0|1,0,0]=3 599 B9R1.84 O=C(O)/C=C/C1CCC1 Z1868431084 [1,0,0,1,0,0|0,0,2]=4 600 B9R1.84 O=C(O)C#CC1CCC1 Z1235950879 [1,0,0,1,0,0|0,0,2]=4 601 B9R1.84 O=C(O)CNC1CCC1 Z4897302450 [1,0,0,1,0,0|1,0,0]=3 602 B9R1.85 NC(=O)COCC1CC1 Z458887542 [1,0,0,1,0,0|2,0,0]=4 603 B9R1.85 O=C(O)CCNC1CC1 Z235346951 [1,0,0,1,0,0|1,0,0]=3 604 B9R1.85 O=C(O)CNCC1CC1 Z359505670 [1,0,0,1,0,0|1,0,0]=3 605 B9R1.85 O=C(O)COCC1CC1 Z332379290 [1,0,0,1,0,0|1,0,0]=3 606 B9R1.86 NC[C@@H]1C[C@@H]1CC(=O)O Z4913154380 [1,0,0,1,0,0|1,0,0]=3 607 B9R1.96 NC[C@@H]1CC[C@@H]1C(=O)O Z4659668967 [1,0,0,1,0,0|1,0,0]=3 608 B9R1.148 CC1(CCCCCC1)O Z449370874 [1,0,0,1,0,0|1,0,1]=4 609 B9R1.148 N=S1(=O)CCCCCC1 Z3307350620 [1,0,0,1,0,0|2,0,0]=4 610 B11R1.64 CC[C@@H]1[C@H](CCN1C)C(=O)O Z2418213031 [0,1,0,1,0,0|1,0,0]=3 611 B11R1.90 CN1CCCC1CCC(=N)N Z4523599584 [0,1,0,1,0,0|2,0,0]=4 612 B11R1.90 CN1CCCC1CCC(=O)O Z2517419474 [0,1,0,1,0,0|0,0,0]=2 613 B11R1.90 O=C(O)CCN1CCCC1=O Z240085326 [0,1,0,1,0,0|1,0,1]=4 614 B11R1.90 O=C(O)CN[C@@H]1COC[C@H]1O Z3399260782 [0,1,0,1,0,0|2,0,0]=4 615 B11R1.90 O=C([O-])CCC1CCCC1=O Z4356981513 [0,1,0,1,0,0|0,0,2]=4 616 B11R1.157 CC(=O)CC1CCCC(=O)N1 Z2301684556 [0,1,0,1,0,0|1,0,1]=4 617 B11R1.157 CC(C)CC1CC(=O)CCO1 Z1192341315 [0,1,0,1,0,0|2,0,0]=4 618 B11R1.157 CC1CCCC(C1)CC(=O)O Z352783434 [0,1,0,1,0,0|0,0,0]=2 619 B11R1.157 CC1CCCN(C1)CC(=O)N Z54749656 [0,1,0,1,0,0|2,0,0]=4 620 B11R1.157 CC1CNCC(C1)CC(=O)O Z2235790824 [0,1,0,1,0,0|1,0,0]=3 621 B11R1.157 CC1CNCC(O1)CC(=O)O Z3991477375 [0,1,0,1,0,0|1,0,0]=3 622 B11R1.157 CC1COCC(O1)CC(=O)O Z5033360121 [0,1,0,1,0,0|1,0,0]=3 623 B11R1.157 CN1CCCC(C1)CC(=O)O Z2310699362 [0,1,0,1,0,0|1,0,0]=3 624 B11R1.157 C[C@@H]1CCC[C@@H](O1)CC(=O)O Z4946669801 [0,1,0,1,0,0|0,0,0]=2 625 B11R1.157 NC(=O)CC1CCCC(C1)N Z4439100400 [0,1,0,1,0,0|1,0,0]=3 626 B11R1.157 NC(=O)CN1CCCC(C1)N Z803145266 [0,1,0,1,0,0|2,0,0]=4 627 B11R1.157 NC1CCCC(C1)CC(=O)O Z5087190945 [0,1,0,1,0,0|0,0,0]=2 628 B11R1.157 NC1CCOC(C1)CC(=O)O Z4579787506 [0,1,0,1,0,0|1,0,0]=3 629 B11R1.157 O=C(O)CC1CCCC(=O)C1 Z907709938 [0,1,0,1,0,0|0,0,1]=3 630 B11R1.157 O=C(O)CC1CCCC(=O)N1 Z1255458725 [0,1,0,1,0,0|1,0,1]=4 631 B11R1.157 O=C(O)CC1CCCC(C1)O Z1262524441 [0,1,0,1,0,0|0,0,0]=2 632 B11R1.166 CC1CC(=O)CCC1C(=O)O Z1262519171 [0,1,0,1,0,0|0,0,1]=3 633 B11R1.166 CC1CC(C(CN1)C(=O)O)C Z3213439686 [0,1,0,1,0,0|1,0,0]=3 634 B11R1.166 CC1CCC(C(N1)C)C(=O)O Z2379448768 [0,1,0,1,0,0|1,0,0]=3 635 B11R1.166 CC1CNC(C(C1)C)C(=O)O Z3251990496 [0,1,0,1,0,0|1,0,0]=3 636 B11R1.166 CC1CNC(C(O1)C)C(=O)O Z2380417725 [0,1,0,1,0,0|2,0,0]=4 637 B11R1.166 CN1CC(CCC1C(=O)O)N Z4383496345 [0,1,0,1,0,0|1,0,0]=3 638 B11R1.166 C[C@H]1CNC([C@H](O1)C)C(=O)O Z4685707855 [0,1,0,1,0,0|2,0,0]=4 639 B11R1.172 CC(=O)NCCC1CCCC1 Z318202282 [0,1,0,1,0,0|1,0,0]=3 640 B11R1.172 O=C(O)CCCC1CCCC1 Z1209411148 [0,1,0,1,0,0|0,0,0]=2 641 B11R1.172 O=C(O)CCCN1CCCC1 Z763029994 [0,1,0,1,0,0|0,0,0]=2 642 B11R1.172 O=C(O)CCNC1CCCC1 Z910841990 [0,1,0,1,0,0|0,0,0]=2 643 B11R1.172 O=C(O)CCSC1CCCC1 Z102926388 [0,1,0,1,0,0|0,0,0]=2 644 B11R1.172 O=C(O)CNCC1CCCO1 Z4840900390 [0,1,0,1,0,0|1,0,0]=3 645 B11R1.172 O=C(O)COCC1CCCC1 Z1255418412 [0,1,0,1,0,0|0,0,0]=2 646 B11R1.172 O=C(O)COCC1CCCO1 Z316259308 [0,1,0,1,0,0|1,0,0]=3 647 B11R1.172 O=C(O)COCC1CCOC1 Z825745840 [0,1,0,1,0,0|1,0,0]=3 648 B11R1.172 O=C(O)CSCC1CCCO1 Z239951478 [0,1,0,1,0,0|1,0,0]=3 649 B11R1.565 NC1CCCC(CC1)C(=O)O Z3478634516 [0,1,0,1,0,0|0,0,0]=2 650 B11R1.565 O=C1CCC(CCO1)C(=O)O Z1216841619 [0,1,0,1,0,0|1,0,1]=4 651 B11R1.720 O=C(O)CCCC(=O)C1CC1 Z1198156747 [0,1,0,1,0,0|0,0,1]=3 652 B11R1.720 O=C(O)CCNC(=O)C1CC1 Z85914938 [0,1,0,1,0,0|1,0,1]=4 653 B11R1.816 CCOC(=O)[C@@H]1C[C@H]1C(=O)O Z2307580012 [0,1,0,1,0,0|1,0,1]=4 654 B11R1.27 CCCCCC1CCC(=O)O1 Z1255430984 [0,1,0,1,0,0|0,0,0]=2 655 B11R1.53 CC(=O)N1CCCCC1CO Z275745460 [0,1,0,1,0,0|2,0,0]=4 656 B11R1.53 CCC1CCCCC1C(=O)O Z1162465707 [0,1,0,1,0,0|0,0,0]=2 657 B11R1.53 CCC1CCCCN1C(=O)N Z235248554 [0,1,0,1,0,0|1,0,0]=3 658 B11R1.53 CCC1OCCCC1C(=O)O Z1318264671 [0,1,0,1,0,0|0,0,0]=2 659 B11R1.53 CCN1CCCCC1C(=O)O Z803129924 [0,1,0,1,0,0|0,0,0]=2 660 B11R1.53 CCN1CCOCC1C(=O)O Z1582264059 [0,1,0,1,0,0|1,0,0]=3 661 B11R1.53 COC1CCCCC1C(=O)O Z1080715176 [0,1,0,1,0,0|0,0,0]=2 662 B11R1.53 COC1CCNCC1C(=O)O Z4105034441 [0,1,0,1,0,0|1,0,0]=3 663 B11R1.53 CSC1=C(CCCC1)C(=O)O Z1262537420 [0,1,0,1,0,0|0,0,2]=4 664 B11R1.53 NC[C@@H]1CCCC[C@@H]1C(=O)O Z2915026000 [0,1,0,1,0,0|0,0,0]=2 665 B11R1.53 O=NN1CCCCC1C(=O)O Z1198157894 [0,1,0,1,0,0|2,0,0]=4 666 B11R1.57 CCN1CCCC1CC(=O)O Z1695906928 [0,1,0,1,0,0|0,0,0]=2 667 B11R1.57 O=C(O)CN1CCCC1CO Z817025854 [0,1,0,1,0,0|1,0,0]=3 668 B11R1.86 CC(=O)NC1CCCCC1C Z32972082 [0,1,0,1,0,0|1,0,0]=3 669 B11R1.86 CC1CCCCC1CC(=O)O Z352783476 [0,1,0,1,0,0|0,0,0]=2 670 B11R1.86 CC1CCCCC1NC(=O)N Z56985817 [0,1,0,1,0,0|1,0,0]=3 671 B11R1.86 CC1CCCCN1CC(=O)N Z54751033 [0,1,0,1,0,0|1,0,0]=3 672 B11R1.86 CC1CCNCC1CC(=O)O Z2515281558 [0,1,0,1,0,0|0,0,0]=2 673 B11R1.86 CN1CC=CCC1CC(=O)O Z3506426322 [0,1,0,1,0,0|0,0,2]=4 674 B11R1.86 CN1CCCCC1CC(=O)O Z2106602368 [0,1,0,1,0,0|0,0,0]=2 675 B11R1.86 NC1CCOCC1CC(=O)O Z2732475544 [0,1,0,1,0,0|1,0,0]=3 676 B11R1.86 N[C@@H]1CCCC[C@@H]1CC(=O)O Z2235791115 [0,1,0,1,0,0|0,0,0]=2 677 B11R1.86 O=C(O)C[C@@H]1CCCC[C@H]1O Z1262514098 [0,1,0,1,0,0|0,0,0]=2 678 B11R1.91 CC(=O)/C=C/C1CCCCC1 Z1217226894 [0,1,0,1,0,0|1,0,1]=4 679 B11R1.91 CC(=O)CCC1CCCCC1 Z406376884 [0,1,0,1,0,0|1,0,0]=3 680 B11R1.91 CC(=O)CCN1CCOCC1 Z53116541 [0,1,0,1,0,0|2,0,0]=4 681 B11R1.91 CC(=O)CCN1CCSCC1 Z906169788 [0,1,0,1,0,0|2,0,0]=4 682 B11R1.91 CC(=O)NCC1CCCCN1 Z1456490747 [0,1,0,1,0,0|2,0,0]=4 683 B11R1.91 CC(=O)NCC1CCCNC1 Z285140846 [0,1,0,1,0,0|2,0,0]=4 684 B11R1.91 CC(=O)NCC1CCNCC1 Z425484868 [0,1,0,1,0,0|2,0,0]=4 685 B11R1.91 CC(=O)OCC1CCCNC1 Z1201627162 [0,1,0,1,0,0|2,0,0]=4 686 B11R1.91 CC(=O)OCC1CCNCC1 Z1201627163 [0,1,0,1,0,0|2,0,0]=4 687 B11R1.91 CC(O)CCC1CCCCC1 Z854048750 [0,1,0,1,0,0|1,0,1]=4 688 B11R1.91 CC(O)CCC1CCNCC1 Z4526202584 [0,1,0,1,0,0|1,0,1]=4 689 B11R1.91 CC(O)CNC1CCCCC1 Z90526999 [0,1,0,1,0,0|1,0,1]=4 690 B11R1.91 N=C(N)CCN1CCCCC1 Z1695728994 [0,1,0,1,0,0|2,0,0]=4 691 B11R1.91 N=C(N)NCC1CCCCC1 Z991126698 [0,1,0,1,0,0|2,0,0]=4 692 B11R1.91 NC(=O)CCC1CCCCC1 Z33547070 [0,1,0,1,0,0|1,0,0]=3 693 B11R1.91 NC(=O)CCC1CCCNC1 Z852089132 [0,1,0,1,0,0|1,0,0]=3 694 B11R1.91 NC(=O)CCC1CCNCC1 Z963586266 [0,1,0,1,0,0|1,0,0]=3 695 B11R1.91 NC(=O)COC1CCNCC1 Z1702888512 [0,1,0,1,0,0|2,0,0]=4 696 B11R1.91 NC(=O)NCC1CCCCC1 Z198194728 [0,1,0,1,0,0|1,0,0]=3 697 B11R1.91 NC(=O)NCC1CCCNC1 Z285141404 [0,1,0,1,0,0|2,0,0]=4 698 B11R1.91 NC(=O)NCC1CCNCC1 Z444350016 [0,1,0,1,0,0|2,0,0]=4 699 B11R1.91 O=C(O)/C=C/C1CCCCC1 Z975822798 [0,1,0,1,0,0|0,0,1]=3 700 B11R1.91 O=C(O)/C=C/C1CCOCC1 Z979767036 [0,1,0,1,0,0|0,0,2]=4 701 B11R1.91 O=C(O)C#CC1CCCCO1 Z1235951021 [0,1,0,1,0,0|0,0,2]=4 702 B11R1.91 O=C(O)C#CC1CCCNC1 Z2492804071 [0,1,0,1,0,0|0,0,2]=4 703 B11R1.91 O=C(O)C#CC1CCNCC1 Z2442061999 [0,1,0,1,0,0|0,0,2]=4 704 B11R1.91 O=C(O)C#CC1CCOCC1 Z1235950906 [0,1,0,1,0,0|0,0,2]=4 705 B11R1.91 O=C(O)CCC1CCCCC1 Z104479892 [0,1,0,1,0,0|0,0,0]=2 706 B11R1.91 O=C(O)CCC1CCCCN1 Z1526503392 [0,1,0,1,0,0|0,0,0]=2 707 B11R1.91 O=C(O)CCC1CCCCO1 Z1167042736 [0,1,0,1,0,0|0,0,0]=2 708 B11R1.91 O=C(O)CCC1CCCNC1 Z839027062 [0,1,0,1,0,0|0,0,0]=2 709 B11R1.91 O=C(O)CCC1CCCOC1 Z1154555237 [0,1,0,1,0,0|0,0,0]=2 710 B11R1.91 O=C(O)CCC1CCNCC1 Z364250128 [0,1,0,1,0,0|0,0,0]=2 711 B11R1.91 O=C(O)CCC1CCOCC1 Z979765670 [0,1,0,1,0,0|0,0,0]=2 712 B11R1.91 O=C(O)CCC1CNCCO1 Z3326049576 [0,1,0,1,0,0|1,0,0]=3 713 B11R1.91 O=C(O)CCN1CCCCC1 Z744843478 [0,1,0,1,0,0|0,0,0]=2 714 B11R1.91 O=C(O)CCN1CCNCC1 Z57683717 [0,1,0,1,0,0|1,0,0]=3 715 B11R1.91 O=C(O)CCN1CCOCC1 Z57683745 [0,1,0,1,0,0|1,0,0]=3 716 B11R1.91 O=C(O)CNC1CCCCC1 Z1259273154 [0,1,0,1,0,0|0,0,0]=2 717 B11R1.91 O=C(O)CNC1CCNCC1 Z1694636318 [0,1,0,1,0,0|1,0,0]=3 718 B11R1.91 O=C(O)COC1CCCCC1 Z316258722 [0,1,0,1,0,0|0,0,0]=2 719 B11R1.91 O=C(O)COC1CCCOC1 Z1898756150 [0,1,0,1,0,0|1,0,0]=3 720 B11R1.91 O=C(O)COC1CCNCC1 Z1511483985 [0,1,0,1,0,0|1,0,0]=3 721 B11R1.91 O=C(O)COC1CCOCC1 Z802587584 [0,1,0,1,0,0|1,0,0]=3 722 B11R1.91 O=C(O)CSC1CCCCO1 Z1262516824 [0,1,0,1,0,0|1,0,0]=3 723 B11R1.91 O=C([O-])CCC1CNCCN1 Z1708090070 [0,1,0,1,0,0|1,0,1]=4 724 B11R1.101 O=C1CCCCCCCCN1 Z1255465322 [0,1,0,1,0,0|1,0,0]=3 725 B11R1.143 CC(=O)N1CCCOCC1C Z1478811949 [0,1,0,1,0,0|2,0,0]=4 726 B11R1.143 NC(=O)C1CCCCCC1N Z1407673034 [0,1,0,1,0,0|1,0,0]=3 727 B11R1.143 N[C@@H]1CCCCC[C@@H]1C(=O)O Z2306862306 [0,1,0,1,0,0|0,0,0]=2 728 B11R1.143 O=C(O)C1CCCCNC1=O Z2732472146 [0,1,0,1,0,0|1,0,1]=4 729 B11R1.193 C#CCN1CCC[C@H]1C(=O)O Z1079126050 [0,1,0,1,0,0|0,0,2]=4 730 B11R1.193 CCCC1CCCC1C(=O)O Z1434224393 [0,1,0,1,0,0|0,0,0]=2 731 B11R1.193 CCCC1CCNC1C(=O)O Z2217033073 [0,1,0,1,0,0|0,0,0]=2 732 B11R1.193 CCCN1CCCC1C(=O)O Z326520902 [0,1,0,1,0,0|0,0,0]=2 733 B11R1.193 COCC1CCCN1C(=O)N Z1216834025 [0,1,0,1,0,0|2,0,0]=4 734 B11R1.706 O=C(O)C1CCCCCCC1 Z792377154 [0,1,0,1,0,0|0,0,0]=2 735 B11R1.706 O=C(O)C1CCCCCCN1 Z1998612770 [0,1,0,1,0,0|0,0,0]=2 736 B11R1.742 CC(=O)CN1CCCCCC1 Z56041634 [0,1,0,1,0,0|1,0,0]=3 737 B11R1.742 CC(=O)NC1CCCCCC1 Z32452010 [0,1,0,1,0,0|1,0,0]=3 738 B11R1.742 CC(O)CC1CCCCCN1 Z1332990062 [0,1,0,1,0,0|1,0,1]=4 739 B11R1.742 NC(=O)CC1CCCCCC1 Z1262638694 [0,1,0,1,0,0|1,0,0]=3 740 B11R1.742 NC(=O)CC1CCCNCC1 Z1746998025 [0,1,0,1,0,0|1,0,0]=3 741 B11R1.742 NC(=O)CN1CCCNCC1 Z426041418 [0,1,0,1,0,0|2,0,0]=4 742 B11R1.742 NC(=O)NC1CCCNCC1 Z3613001386 [0,1,0,1,0,0|2,0,0]=4 743 B11R1.742 O=C(O)CC1CCCCCC1 Z352783664 [0,1,0,1,0,0|0,0,0]=2 744 B11R1.742 O=C(O)CC1CCCNCC1 Z2830496103 [0,1,0,1,0,0|0,0,0]=2 745 B11R1.742 O=C(O)CN1CCCCCC1 Z1171978829 [0,1,0,1,0,0|0,0,0]=2 746 B11R1.742 O=C(O)CN1CCCNCC1 Z1259161963 [0,1,0,1,0,0|1,0,0]=3 747 B11R1.742 O=C(O)CN1CSCCSC1 Z2587654975 [0,1,0,1,0,0|2,0,0]=4 748 B11R1.34 CCCC1CC(=O)CC(=O)C1 Z85928738 [0,1,0,1,0,0|1,0,1]=4 749 B11R1.43 NCC1CC(CO1)CC(=O)O Z3481962152 [0,1,0,1,0,0|2,0,0]=4 750 B11R1.77 CN(CC(=O)N)C1CCCC1 Z169488320 [0,1,0,1,0,0|2,0,0]=4 751 B11R1.77 NC(CC(=O)O)C1CCCC1 Z975823288 [0,1,0,1,0,0|0,0,0]=2 752 B11R1.928 CC1(CCCCC1)CC(=O)O Z1255466882 [0,1,0,1,0,0|0,0,0]=2 753 B11R1.928 CC1(CCNCC1)CC(=O)O Z5590137993 [0,1,0,1,0,0|1,0,0]=3 754 B11R1.928 NC(=O)CC1(CCCCC1)N Z2941400913 [0,1,0,1,0,0|1,0,0]=3 755 B11R1.928 NC(=O)CC1(CCOCC1)N Z1335657666 [0,1,0,1,0,0|2,0,0]=4 756 B11R1.928 NC1(CCCCC1)CC(=O)O Z1741975256 [0,1,0,1,0,0|0,0,0]=2 757 B11R1.928 NC1(CCNCC1)CC(=O)O Z1624323979 [0,1,0,1,0,0|1,0,0]=3 758 B11R1.928 NC1(CCOCC1)CC(=O)O Z2255110164 [0,1,0,1,0,0|1,0,0]=3 759 B11R1.928 O=C(O)CC1(CCCCC1)O Z982131964 [0,1,0,1,0,0|0,0,0]=2 760 B11R1.928 O=C(O)CC1(CCNCC1)O Z3488912123 [0,1,0,1,0,0|1,0,0]=3 761 B11R1.928 O=C(O)CC1(CCOCC1)O Z982132196 [0,1,0,1,0,0|1,0,0]=3 762 B11R1.105 CC1CCCC1CS(=O)(=O)N Z1907859820 [0,1,0,1,0,0|1,0,1]=4 763 B11R1.509 NS(=O)(=O)CC1CCCCC1 Z734461532 [0,1,0,1,0,0|1,0,1]=4 764 B11R1.509 O=S(=O)(F)CC1CCCCC1 Z991753780 [0,1,0,1,0,0|1,0,1]=4 765 B11R1.20 CC1CCC(=CC(=O)O)CC1 Z352748308 [0,1,0,1,0,0|0,0,2]=4 766 B11R1.20 CC1CCC(CC1)C[N+](=O)[O-] Z3271333405 [0,1,0,1,0,0|1,0,1]=4 767 B11R1.20 CC1CCN(CC1)CC(=O)N Z54847897 [0,1,0,1,0,0|2,0,0]=4 768 B11R1.20 CC1CCN(CC1)CC(=O)O Z197278060 [0,1,0,1,0,0|1,0,0]=3 769 B11R1.20 CN1CCC(CC1)CC(=O)O Z2524805848 [0,1,0,1,0,0|1,0,0]=3 770 B11R1.20 CN1CCN(CC1)CC(=O)O Z57912405 [0,1,0,1,0,0|2,0,0]=4 771 B11R1.20 C[C@@H]1CO[C@H](CO1)CC(=O)O Z4905357119 [0,1,0,1,0,0|2,0,0]=4 772 B11R1.20 NC(=O)CN1CCC(CC1)O Z54505513 [0,1,0,1,0,0|2,0,0]=4 773 B11R1.20 NC(=O)NC1CCC(CC1)O Z198194888 [0,1,0,1,0,0|2,0,0]=4 774 B11R1.20 NC1CCC(CC1)CC(=O)O Z3243726577 [0,1,0,1,0,0|0,0,0]=2 775 B11R1.20 NC1CCN(CC1)CC(=O)O Z1762658240 [0,1,0,1,0,0|1,0,0]=3 776 B11R1.20 N[C@H]1CC[C@@H](CC1)CC(=O)O Z1255418104 [0,1,0,1,0,0|0,0,0]=2 777 B11R1.20 O=C(O)CC1CCC(=O)CC1 Z1198235241 [0,1,0,1,0,0|0,0,1]=3 778 B11R1.20 O=C(O)CC1CCC(=O)NC1 Z1416171278 [0,1,0,1,0,0|1,0,1]=4 779 B11R1.20 O=C(O)CN1CCC(CC1)O Z744593184 [0,1,0,1,0,0|1,0,0]=3 780 B11R1.20 O=C(O)CN1CCS(=O)CC1 Z1459993590 [0,1,0,1,0,0|2,0,0]=4 781 B11R1.23 CC(CN)C1CCCC(=O)N1 Z4936357811 [0,1,0,1,0,0|2,0,0]=4 782 B11R1.75 CC(C)NCC1CCC(=O)N1 Z1255357009 [0,1,0,1,0,0|2,0,0]=4 783 B11R1.75 CC1CCC(O1)CCC(=O)O Z1262470998 [0,1,0,1,0,0|0,0,0]=2 784 B11R1.75 CN1CCC(C1)CCC(=O)O Z5380297895 [0,1,0,1,0,0|1,0,0]=3 785 B11R1.75 NC1CCC(C1)CCC(=O)O Z4390881825 [0,1,0,1,0,0|0,0,0]=2 786 B11R1.75 O=C(O)CCC1CCC(=O)N1 Z1198163513 [0,1,0,1,0,0|1,0,1]=4 787 B11R1.75 O=C(O)CCN1CCC(C1)F Z2733346657 [0,1,0,1,0,0|1,0,0]=3 788 B11R1.159 CN1C(=O)CCCC1C(=O)O Z1262558916 [0,1,0,1,0,0|1,0,1]=4 789 B11R1.159 O=C(O)[C@H]1NCC[C@H]([C@H]1O)O Z4130211458 [0,1,0,1,0,0|2,0,0]=4 790 B11R1.266 CCC1CC(CCO1)C(=O)O Z1192344099 [0,1,0,1,0,0|1,0,0]=3 791 B11R1.266 CCC1CCCC(N1)C(=O)O Z1612958646 [0,1,0,1,0,0|0,0,0]=2 792 B11R1.266 CCN1CCCC(C1)C(=O)O Z763029984 [0,1,0,1,0,0|1,0,0]=3 793 B11R1.266 CCN1CCOC(C1)C(=O)O Z1459939099 [0,1,0,1,0,0|2,0,0]=4 794 B11R1.266 CC[C@@H]1COC[C@@H](N1)C(=O)O Z4767064022 [0,1,0,1,0,0|1,0,0]=3 795 B11R1.266 COC1CCCC(C1)C(=O)O Z1192182025 [0,1,0,1,0,0|1,0,0]=3 796 B11R1.266 COC1CCNC(C1)C(=O)O Z2768171860 [0,1,0,1,0,0|2,0,0]=4 797 B11R1.266 COC1CNCC(C1)C(=O)O Z5209028633 [0,1,0,1,0,0|2,0,0]=4 798 B11R1.266 N#CC1CCCC(C1)C(=O)O Z1515406065 [0,1,0,1,0,0|1,0,1]=4 799 B11R1.266 N#C[C@H]1CCC[C@H](C1)C(=O)O Z4790589241 [0,1,0,1,0,0|1,0,1]=4 800 B11R1.266 NCC1CC(CCO1)C(=O)O Z5712882945 [0,1,0,1,0,0|2,0,0]=4 801 B11R1.313 CN1C(=O)CCC1CC(=O)O Z1201625519 [0,1,0,1,0,0|1,0,1]=4 802 B11R1.313 C[C@H]1C(=O)CC[C@@H]1CC(=O)O Z4287087572 [0,1,0,1,0,0|0,0,1]=3 803 B11R1.717 NC(=O)CCSCC1(CC1)Cl Z3071641089 [0,1,0,1,0,0|2,0,0]=4 804 B11R1.25 CNC(=O)CSC1CCCC1 Z18828360 [0,1,0,1,0,0|2,0,0]=4 805 B11R1.25 COC(=O)CCC1CCCC1 Z18434654 [0,1,0,1,0,0|0,0,0]=2 806 B11R1.25 COC(=O)CCC1CCCO1 Z380302304 [0,1,0,1,0,0|1,0,0]=3 807 B11R1.25 COC(=O)CCN1CCCC1 Z53116276 [0,1,0,1,0,0|1,0,0]=3 808 B11R1.25 COC(=O)CNC1CCCC1 Z235648990 [0,1,0,1,0,0|1,0,0]=3 809 B11R1.40 CC(C=O)CC1CCCCC1 Z1238838137 [0,1,0,1,0,0|1,0,1]=4 810 B11R1.40 CC(CO)CC1CCCCC1 Z1238840407 [0,1,0,1,0,0|1,0,1]=4 811 B11R1.40 CCC(=O)CC1CCCCC1 Z992965580 [0,1,0,1,0,0|1,0,0]=3 812 B11R1.40 CNC(=O)CC1CCNCC1 Z300071370 [0,1,0,1,0,0|2,0,0]=4 813 B11R1.40 COC(=O)CC1CCOCC1 Z1198266999 [0,1,0,1,0,0|1,0,0]=3 814 B11R1.40 COC(=O)CC1CCSCC1 Z1426217133 [0,1,0,1,0,0|1,0,0]=3 815 B11R1.40 COC(=O)CC1CNCCO1 Z1342879012 [0,1,0,1,0,0|2,0,0]=4 816 B11R1.40 COC(=O)CC1COCCN1 Z1198323550 [0,1,0,1,0,0|2,0,0]=4 817 B11R1.40 COC(=O)CC1CSCCN1 Z1245537914 [0,1,0,1,0,0|2,0,0]=4 818 B11R1.40 COC(=O)CN1CCNCC1 Z235342031 [0,1,0,1,0,0|2,0,0]=4 819 B11R1.40 COC(=O)C[C@@H]1CCCNC1 Z1198161509 [0,1,0,1,0,0|1,0,0]=3 820 B11R1.40 NC(CO)CC1CCCCC1 Z1201620851 [0,1,0,1,0,0|1,0,1]=4 821 B11R1.40 NCC(=O)CC1CCCCC1 Z2756265233 [0,1,0,1,0,0|1,0,0]=3 822 B11R1.40 NCC(=O)NC1CCCCC1 Z939944692 [0,1,0,1,0,0|2,0,0]=4 823 B11R1.40 NCC(=O)OC1CCCCC1 Z1333043376 [0,1,0,1,0,0|2,0,0]=4 824 B11R1.40 NCC(O)CC1CCCCC1 Z5195335934 [0,1,0,1,0,0|1,0,1]=4 825 B11R1.40 NNC(=O)CC1CCCCC1 Z58982701 [0,1,0,1,0,0|1,0,0]=3 826 B11R1.40 NNC(=O)NC1CCCCC1 Z56838483 [0,1,0,1,0,0|2,0,0]=4 827 B11R1.40 O=C(CCl)CC1CCCCC1 Z1255500367 [0,1,0,1,0,0|1,0,0]=3 828 B11R1.40 O=C(CCl)CC1CCOCC1 Z3579547101 [0,1,0,1,0,0|2,0,0]=4 829 B11R1.40 O=C(CCl)NC1CCCCC1 Z56896331 [0,1,0,1,0,0|2,0,0]=4 830 B11R1.59 COC(=O)C1CCOC1CN Z5011974372 [0,1,0,1,0,0|2,0,0]=4 831 B11R1.59 COC(=O)[C@@H]1CNC[C@H]1OC Z5017266819 [0,1,0,1,0,0|2,0,0]=4 832 B11R1.222 CC1CCCCC1C(=O)CN Z3689422140 [0,1,0,1,0,0|1,0,0]=3 833 B11R1.222 CC1CCCCN1C(=O)CCl Z56853744 [0,1,0,1,0,0|2,0,0]=4 834 B11R1.222 CNC(=O)C1CCCCC1N Z1020729116 [0,1,0,1,0,0|2,0,0]=4 835 B11R1.222 CNC(=O)[C@@H]1CCCC[C@@H]1N Z5291168350 [0,1,0,1,0,0|2,0,0]=4 836 B11R1.222 COC(=O)C1CCCCC1N Z336080718 [0,1,0,1,0,0|1,0,0]=3 837 B11R1.222 COC(=O)C1CCCNC1C Z3234910381 [0,1,0,1,0,0|1,0,0]=3 838 B11R1.222 COC(=O)C1CCNCC1C Z1824482742 [0,1,0,1,0,0|1,0,0]=3 839 B11R1.222 COC(=O)C1NCCCC1C Z1509088976 [0,1,0,1,0,0|1,0,0]=3 840 B11R1.222 COC(=O)[C@@H]1CCNC[C@@H]1N Z4447092537 [0,1,0,1,0,0|2,0,0]=4 841 B11R1.222 COC(=O)[C@@H]1NCCN[C@@H]1C Z4523300238 [0,1,0,1,0,0|2,0,0]=4 842 B11R1.222 COC(=O)[C@H]1CCCC[C@H]1N Z2083000205 [0,1,0,1,0,0|1,0,0]=3 843 B11R1.228 COC(=O)CC1CCCC1=O Z1198182980 [0,1,0,1,0,0|1,0,1]=4 844 B11R1.228 COC(=O)C[C@@H]1CNC[C@H]1O Z3194082015 [0,1,0,1,0,0|2,0,0]=4 845 B11R1.410 NC1(CCCCCCC1)CO Z2738576692 [0,1,0,1,0,0|1,0,1]=4 846 B11R1.410 NCC1(CCCCCCC1)O Z4403452657 [0,1,0,1,0,0|1,0,1]=4 847 B11R1.852 COC(=O)C1CCCCCN1 Z2232973413 [0,1,0,1,0,0|1,0,0]=3 848 B11R1.852 COC(=O)C1CCCNCC1 Z2941372190 [0,1,0,1,0,0|1,0,0]=3 849 B11R1.852 COC(=O)C1CCNCCN1 Z1269232100 [0,1,0,1,0,0|2,0,0]=4 850 B11R1.852 COC(=O)N1CCCNCC1 Z319610130 [0,1,0,1,0,0|2,0,0]=4 851 B11R1.852 O=C(CCl)C1CCCCCC1 Z1238572144 [0,1,0,1,0,0|1,0,0]=3 852 B11R1.852 O=C(CCl)N1CCCCCC1 Z56862394 [0,1,0,1,0,0|2,0,0]=4 853 B11R1.852 O=C(CO)N1CCCCCC1 Z228585382 [0,1,0,1,0,0|1,0,0]=3 854 B11R1.35 CC(CC1CCCC1)C(=O)O Z804901352 [0,1,0,1,0,0|0,0,0]=2 855 B11R1.35 CC(NC1CCCC1)C(=O)O Z1801304728 [0,1,0,1,0,0|1,0,0]=3 856 B11R1.35 CC(OC1CCCC1)C(=O)O Z316258764 [0,1,0,1,0,0|1,0,0]=3 857 B11R1.35 CC(SC1CCCC1)C(=O)N Z18828515 [0,1,0,1,0,0|2,0,0]=4 858 B11R1.35 NC(CC1CCCC1)C(=O)O Z1558210079 [0,1,0,1,0,0|0,0,0]=2 859 B11R1.35 NC(CC1CCCO1)C(=O)O Z317025024 [0,1,0,1,0,0|1,0,0]=3 860 B11R1.35 NC(CC1CCOC1)C(=O)O Z2740400903 [0,1,0,1,0,0|1,0,0]=3 861 B11R1.35 NC(CC1CCSC1)C(=O)O Z3465027322 [0,1,0,1,0,0|1,0,0]=3 862 B11R1.35 O=C(O)C(O)CN1CCCC1 Z2310728139 [0,1,0,1,0,0|1,0,0]=3 863 B11R1.36 CC(=O)C(C)C1CCCCC1 Z1255356497 [0,1,0,1,0,0|1,0,0]=3 864 B11R1.36 CC(C(=O)N)N1CCCCC1 Z103698666 [0,1,0,1,0,0|2,0,0]=4 865 B11R1.36 CC(C(=O)O)C1CCNCC1 Z3244908692 [0,1,0,1,0,0|1,0,0]=3 866 B11R1.36 CC(C(=O)O)C1CCOCC1 Z1262520886 [0,1,0,1,0,0|1,0,0]=3 867 B11R1.36 CC(C(=O)O)N1CCCCC1 Z1172068155 [0,1,0,1,0,0|1,0,0]=3 868 B11R1.36 CC(C(=O)O)N1CCSCC1 Z359352804 [0,1,0,1,0,0|2,0,0]=4 869 B11R1.36 C[C@@H](C(=O)O)N1CCOCC1 Z1262520045 [0,1,0,1,0,0|2,0,0]=4 870 B11R1.36 NC(=O)C(O)C1CCOCC1 Z979770898 [0,1,0,1,0,0|2,0,0]=4 871 B11R1.36 NC(C(=O)O)C1CC=CCC1 Z3562671618 [0,1,0,1,0,0|0,0,2]=4 872 B11R1.36 NC(C(=O)O)C1CCCCC1 Z752370756 [0,1,0,1,0,0|0,0,0]=2 873 B11R1.36 NC(C(=O)O)C1CCOCC1 Z2895181969 [0,1,0,1,0,0|1,0,0]=3 874 B11R1.36 O=C(O)C(F)C1CCNCC1 Z2733346658 [0,1,0,1,0,0|1,0,0]=3 875 B11R1.36 O=C(O)C(O)C1CCCCC1 Z788000630 [0,1,0,1,0,0|0,0,0]=2 876 B11R1.36 O=C(O)C(O)C1CCCNC1 Z1964357511 [0,1,0,1,0,0|1,0,0]=3 877 B11R1.36 O=C(O)C(O)C1CCNCC1 Z3045554278 [0,1,0,1,0,0|1,0,0]=3 878 B11R1.497 O=C1CCCCC(N1)C(=O)O Z1217989816 [0,1,0,1,0,0|1,0,1]=4 879 B11R1.520 CC1CCCCC1(N)C(=O)O Z317024760 [0,1,0,1,0,0|0,0,0]=2 880 B11R1.520 O=C(O)[C@@]1(CCNC[C@H]1O)O Z4435493440 [0,1,0,1,0,0|2,0,0]=4 881 B11R1.737 CC1(CCCCCC1)C(=O)O Z1255397317 [0,1,0,1,0,0|0,0,0]=2 882 B11R1.737 NC(=O)C1(CCCCCC1)N Z285201190 [0,1,0,1,0,0|1,0,0]=3 883 B11R1.737 NC1(CCCCCC1)C(=O)O Z317024840 [0,1,0,1,0,0|0,0,0]=2 884 B11R1.737 O=C(O)C1(CCCCCC1)O Z787969976 [0,1,0,1,0,0|0,0,0]=2 885 B11R1.103 CC1CC1C(=O)NCC(=O)O Z85886818 [0,1,0,1,0,0|1,0,1]=4 886 B11R1.167 CC1CC(C(CN1)C)C(=O)O Z3214138136 [0,1,0,1,0,0|1,0,0]=3 887 B11R1.167 CC1CCC(C(N1)C(=O)O)C Z4075226032 [0,1,0,1,0,0|1,0,0]=3 888 B11R1.346 O=C(O)CNC(=O)C1CCC1 Z85886787 [0,1,0,1,0,0|1,0,1]=4 889 B11R1.495 CC1CCC(N1CC(=O)O)C Z608708802 [0,1,0,1,0,0|1,0,0]=3 890 B11R1.713 CC(=O)NCC1(CCCC1)O Z1203329531 [0,1,0,1,0,0|2,0,0]=4 891 B11R1.713 NC1(CCCC1)CCC(=O)O Z3085811385 [0,1,0,1,0,0|0,0,0]=2 892 B11R1.713 NC1(CCOC1)CCC(=O)O Z2941795757 [0,1,0,1,0,0|1,0,0]=3 893 B11R1.177 CC1(CCCCC1C(=O)O)C Z1262514811 [0,1,0,1,0,0|0,0,0]=2 894 B11R1.177 CC1(CCCCC1C(=O)O)N Z1494770337 [0,1,0,1,0,0|0,0,0]=2 895 B11R1.177 CC1(CCCNC1C(=O)N)C Z4063538641 [0,1,0,1,0,0|2,0,0]=4 896 B11R1.177 CC1(CCCNC1C(=O)O)C Z1925929976 [0,1,0,1,0,0|1,0,0]=3 897 B11R1.177 CC1(CCNCC1C(=O)O)C Z3069013028 [0,1,0,1,0,0|1,0,0]=3 898 B11R1.177 CC1(OCCNC1C(=O)O)C Z4497435109 [0,1,0,1,0,0|2,0,0]=4 899 B11R1.177 O=C(O)C1CNCCC1(F)F Z2082999282 [0,1,0,1,0,0|2,0,0]=4 900 B11R1.177 O=C(O)C1COCCC1(F)F Z2732491487 [0,1,0,1,0,0|2,0,0]=4 901 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O Z1078490036 [0,1,0,1,0,0|1,0,1]=4 902 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O Z85923459 [0,1,0,1,0,0|1,0,1]=4 903 B11R1.178 CC(C)C1NCCC1C(=O)O Z2065788419 [0,1,0,1,0,0|1,0,0]=3 904 B11R1.178 CC(C)N1CCCC1C(=O)O Z424762070 [0,1,0,1,0,0|1,0,0]=3 905 B11R1.178 CC(C)[C@@H]1CCO[C@@H]1C(=O)O Z2310169937 [0,1,0,1,0,0|1,0,0]=3 906 B11R1.178 CC(C)[C@@H]1CNC[C@H]1C(=O)O Z2307018221 [0,1,0,1,0,0|1,0,0]=3 907 B11R1.178 O=C(O)C1CCCC1C(=O)O Z1198150630 [0,1,0,1,0,0|1,0,1]=4 908 B11R1.178 O=C(O)[C@@H]1CNC[C@H]1C(F)F Z2307327965 [0,1,0,1,0,0|2,0,0]=4 909 B11R1.234 CC1(CNCC1CC(=O)O)C Z3769318294 [0,1,0,1,0,0|1,0,0]=3 910 B11R1.234 CC1(NCCC1CC(=O)O)C Z3410232929 [0,1,0,1,0,0|1,0,0]=3 911 B11R1.234 O=C(O)CC1CCCS1(=O)=O Z1736161208 [0,1,0,1,0,0|2,0,0]=4 912 B11R2.35 O=C1CCCC(C1)C2CC2 Z1233207383 [0,0,0,2,0,0|1,0,0]=3 913 B11R2.35 O=C1CCCC(N1)C2CC2 Z2235827249 [0,0,0,2,0,0|1,0,0]=3 914 B11R2.36 O=C1CCC2CNCC2N1 Z1509106290 [0,0,0,2,0,0|2,0,0]=4 915 B11R2.36 O=C1CN2CCCC2CN1 Z1203745969 [0,0,0,2,0,0|2,0,0]=4 916 B11R2.106 O=C1CCNC2N1CCC2 Z2900168935 [0,0,0,2,0,0|2,0,0]=4 917 B11R2.106 O=C1NCCN2C1CCC2 Z336079880 [0,0,0,2,0,0|2,0,0]=4 918 B11R2.106 O=C1NCC[C@H]2[C@@H]1CCO2 Z2309893036 [0,0,0,2,0,0|2,0,0]=4 919 B11R2.678 O=C1CC2CCCC(C1)C2 Z1255416520 [0,0,0,2,0,0|1,0,0]=3 920 B11R2.678 O=C1CC2CCCC(C1)N2 Z1262564614 [0,0,0,2,0,0|2,0,0]=4 921 B11R2.1478 O=C1CC2(CCC2)CCN1 Z3465807730 [0,0,0,2,0,0|2,0,0]=4 922 B11R2.1478 O=C1NCCC2(O1)CNC2 Z2888819560 [0,0,0,2,0,0|2,0,0]=4 923 B11R2.1 O=C1CCC2N1CCNC2 Z4884991057 [0,0,0,2,0,0|2,0,0]=4 924 B11R2.1 O=C1NC[C@@H]2[C@H]1CCCN2 Z1968124423 [0,0,0,2,0,0|2,0,0]=4 925 B11R2.1 O=C1NC[C@H]2[C@@H]1CCCC2 Z2307208665 [0,0,0,2,0,0|1,0,0]=3 926 B11R2.1 O=C1NC[C@H]2[C@@H]1CCCN2 Z3379440575 [0,0,0,2,0,0|2,0,0]=4 927 B11R2.1 O=C1OCC2C1CCNC2 Z4438428292 [0,0,0,2,0,0|1,0,0]=3 928 B11R2.1 O=C1OCC2N1CCNC2 Z1431002690 [0,0,0,2,0,0|2,0,0]=4 929 B11R2.1 O=C1OC[C@H]2N1CCNC2 Z1198235635 [0,0,0,2,0,0|2,0,0]=4 930 B11R2.10 O=C1C[C@@H]2CCNC[C@@H]2N1 Z2941409830 [0,0,0,2,0,0|2,0,0]=4 931 B11R2.10 O=C1C[C@@H]2NCCC[C@@H]2N1 Z2568671488 [0,0,0,2,0,0|2,0,0]=4 932 B11R2.10 O=C1N[C@@H]2CCNC[C@@H]2O1 Z3486109396 [0,0,0,2,0,0|2,0,0]=4 933 B11R2.10 O=C1N[C@H]2CCCC[C@H]2N1 Z3227128710 [0,0,0,2,0,0|2,0,0]=4 934 B11R2.10 O=C1OC2CCCCC2O1 Z1201621064 [0,0,0,2,0,0|1,0,0]=3 935 B11R2.359 O=C1CC2CCC(C2)CN1 Z1203749577 [0,0,0,2,0,0|2,0,0]=4 936 B11R2.748 O=C1CC2(CCCC2)CN1 Z1198235316 [0,0,0,2,0,0|2,0,0]=4 937 B11R2.748 O=C1CCC2(N1)CCCC2 Z1258978219 [0,0,0,2,0,0|1,0,0]=3 938 B11R2.748 O=C1CCC2(N1)CCNC2 Z3216186792 [0,0,0,2,0,0|2,0,0]=4 939 B11R2.748 O=C1CNC2(C1)CCCC2 Z2732532265 [0,0,0,2,0,0|2,0,0]=4 940 B11R2.748 O=C1NC2(CCCC2)CO1 Z1266873523 [0,0,0,2,0,0|2,0,0]=4 941 B11R2.748 O=C1NCC2(O1)CCNC2 Z3244909126 [0,0,0,2,0,0|2,0,0]=4 942 B11R2.703 O=C1CC2(N1)CCCCC2 Z1238837545 [0,0,0,2,0,0|1,0,0]=3 943 B11R2.703 O=C1CC2(N1)CCNCC2 Z2143572749 [0,0,0,2,0,0|2,0,0]=4 944 B11R2.703 O=C1CC2(N1)CCOCC2 Z1238837683 [0,0,0,2,0,0|2,0,0]=4 945 B11R2.932 O=C(O)CC1CCC2C1C2 Z1509040790 [0,0,0,2,0,0|0,0,0]=2 946 B11R2.934 O=C(O)CN1CC2CC2C1 Z3377864519 [0,0,0,2,0,0|1,0,0]=3 947 B11R2.1824 O=C(O)[C@H]1[C@H]2CNC[C@@H]1C2 Z5354305391 [0,0,0,2,0,0|1,0,0]=3 948 B11R2.1852 O=C(O)[C@@H]1[C@@H]2[C@H]1OCCC2 Z3002935457 [0,0,0,2,0,0|1,0,0]=3 949 B11R2.1852 O=C(O)[C@H]1[C@@H]2[C@H]1CCNC2 Z4605254163 [0,0,0,2,0,0|1,0,0]=3 950 B11R2.711 O=C1NC2C1CCCCC2 Z1203733441 [0,0,0,2,0,0|1,0,0]=3 951 B11R2.142 NC(=O)C1CNCC12CC2 Z4947231444 [0,0,0,2,0,0|2,0,0]=4 952 B11R2.142 O=C(O)C1CCNC12CC2 Z3615239173 [0,0,0,2,0,0|1,0,0]=3 953 B11R2.819 O=C(O)[C@]12CC[C@H]1CCN2 Z3181907870 [0,0,0,2,0,0|1,0,0]=3 954 B11R2.819 O=C(O)[C@]12CC[C@H]1CNC2 Z2940617658 [0,0,0,2,0,0|1,0,0]=3 955 B11R2.822 O=C(O)[C@@H]1NC[C@@H]2[C@H]1CC2 Z3484275452 [0,0,0,2,0,0|1,0,0]=3 956 B11R2.845 CC(=O)C1CC2CCC1C2 Z1386913059 [0,0,0,2,0,0|1,0,0]=3 957 B11R2.845 CC(=O)C1CC2CCC1O2 Z1201052692 [0,0,0,2,0,0|2,0,0]=4 958 B11R2.845 O=C(O)C1CC2C=CC1C2 Z104495016 [0,0,0,2,0,0|0,0,2]=4 959 B11R2.845 O=C(O)C1CC2CCC1C2 Z147433488 [0,0,0,2,0,0|0,0,0]=2 960 B11R2.845 O=C(O)C1CC2CCC1N2 Z2899600133 [0,0,0,2,0,0|1,0,0]=3 961 B11R2.845 O=C(O)C1CN2CCC1C2 Z1262558196 [0,0,0,2,0,0|1,0,0]=3 962 B11R2.845 O=C(O)[C@@H]1C[C@@H]2CC[C@H]1O2 Z3301415369 [0,0,0,2,0,0|1,0,0]=3 963 B11R2.845 O=C(O)[C@@H]1C[C@H]2C=C[C@@H]1C2 Z2507795603 [0,0,0,2,0,0|0,0,2]=4 964 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1O2 Z1197865945 [0,0,0,2,0,0|1,0,0]=3 965 B11R2.120 CN1C2CCCC1C(=O)C2 Z5626300430 [0,0,0,2,0,0|2,0,0]=4 966 B11R2.813 CC(=O)C12CCCCC1O2 Z1513596244 [0,0,0,2,0,0|2,0,0]=4 967 B11R2.813 NC(=O)[C@]12C[C@H]1CCCN2 Z2941534151 [0,0,0,2,0,0|2,0,0]=4 968 B11R2.813 O=C(O)C12CCCCC1C2 Z1205497757 [0,0,0,2,0,0|0,0,0]=2 969 B11R2.813 O=C(O)[C@]12C[C@H]1CCCN2 Z2896884384 [0,0,0,2,0,0|1,0,0]=3 970 B11R2.432 CN1C2CCC1CC(=O)C2 Z362847958 [0,0,0,2,0,0|2,0,0]=4 971 B11R2.814 O=C(O)C1CC2C1CCC2 Z1509040895 [0,0,0,2,0,0|0,0,0]=2 972 B11R2.141 O=C(O)C1CC12CCCC2 Z979743296 [0,0,0,2,0,0|0,0,0]=2 973 B11R2.141 O=C(O)C1CC12CCNC2 Z2311216937 [0,0,0,2,0,0|1,0,0]=3 974 B11R2.141 O=C(O)C1CC12CCOC2 Z1124555735 [0,0,0,2,0,0|1,0,0]=3 975 B11R2.457 NC1CC1C2CC2C(=O)O Z3996628890 [0,0,0,2,0,0|1,0,0]=3 976 B11R2.839 O=C(O)C1CCC2CC2C1 Z1509040982 [0,0,0,2,0,0|0,0,0]=2 977 B11R2.842 CC(=O)N1C[C@H]2CC[C@H]2C1 Z2935757132 [0,0,0,2,0,0|2,0,0]=4 978 B11R2.1836 O=C(O)[C@@H]1C[C@H]1C2CCC2 Z2301518213 [0,0,0,2,0,0|0,0,0]=2