0 B9R0.45 CCCCCCCCCO Z104476100 [0,0,0,0,0,0|0,0,0]=0 1 B9R0.45 CCCCCCCNC=O Z1203732044 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.45 CCCCCCNCCO Z137800948 [0,0,0,0,0,0|1,0,0]=1 3 B9R0.45 CCCCOCCCCO Z993012624 [0,0,0,0,0,0|1,0,0]=1 4 B9R0.45 CNCCOCCCOC Z839536458 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.45 COCCCNCCOC Z235637138 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.45 COCCOCCCCN Z285178626 [0,0,0,0,0,0|3,0,0]=3 7 B9R0.45 NCCCCCCCCN Z1203577927 [0,0,0,0,0,0|2,0,0]=2 8 B9R0.45 NCCCCCCCCO Z4745386600 [0,0,0,0,0,0|1,0,0]=1 9 B9R0.45 NCCSCCSCCN Z2740753669 [0,0,0,0,0,0|4,0,0]=4 10 B9R0.45 OCCCCCOCCO Z1897250794 [0,0,0,0,0,0|2,0,0]=2 11 B9R0.45 OCCOCCOCCF Z1618124684 [0,0,0,0,0,0|3,0,0]=3 12 B9R0.45 OCCOCCOCCO Z104476078 [0,0,0,0,0,0|3,0,0]=3 13 B9R0.45 OCCOCCSCCO Z756091788 [0,0,0,0,0,0|3,0,0]=3 14 B8R0.4 C#CCCCCCCN Z3847490647 [1,0,0,0,0,0|1,0,2]=4 15 B8R0.4 C#CCCCCCCO Z1198157198 [1,0,0,0,0,0|0,0,2]=3 16 B8R0.4 C=CCCCCCCN Z1198263320 [1,0,0,0,0,0|1,0,2]=4 17 B8R0.4 CCCCCCCCO Z104473500 [1,0,0,0,0,0|0,0,0]=1 18 B8R0.4 CCCCCNCCO Z137800944 [1,0,0,0,0,0|1,0,0]=2 19 B8R0.4 CCCCNCCCC Z102766286 [1,0,0,0,0,0|1,0,0]=2 20 B8R0.4 CCCCNCCCO Z102766210 [1,0,0,0,0,0|1,0,0]=2 21 B8R0.4 CCNCCOCCN Z1323539868 [1,0,0,0,0,0|3,0,0]=4 22 B8R0.4 CCOCCOCCN Z2900987685 [1,0,0,0,0,0|3,0,0]=4 23 B8R0.4 COCCCNCCO Z382722010 [1,0,0,0,0,0|2,0,0]=3 24 B8R0.4 COCCNCCCN Z970105370 [1,0,0,0,0,0|3,0,0]=4 25 B8R0.4 COCCNCCOC Z104475212 [1,0,0,0,0,0|3,0,0]=4 26 B8R0.4 COCCOCCCO Z1080358808 [1,0,0,0,0,0|2,0,0]=3 27 B8R0.4 COCCOCCOC Z104473160 [1,0,0,0,0,0|3,0,0]=4 28 B8R0.4 NCCCCCCCN Z275166586 [1,0,0,0,0,0|2,0,0]=3 29 B8R0.4 NCCCCCCCO Z3016956569 [1,0,0,0,0,0|1,0,0]=2 30 B8R0.4 NCCCNCCCN Z1203577926 [1,0,0,0,0,0|3,0,0]=4 31 B8R0.4 OCCCNCCCO Z104684334 [1,0,0,0,0,0|2,0,0]=3 32 B10R0.1 CCCCCNC(C)CCC Z138670752 [0,1,0,0,0,0|2,0,0]=3 33 B10R0.4 C#CCCCCCCC(=O)O Z1255435221 [0,1,0,0,0,0|0,0,3]=4 34 B10R0.4 CC(=O)OCCCCCCN Z5197785028 [0,1,0,0,0,0|2,0,1]=4 35 B10R0.4 CCCCCCCCC(=O)N Z296759818 [0,1,0,0,0,0|0,0,2]=3 36 B10R0.4 CCCCCCCCC(=O)O Z104473336 [0,1,0,0,0,0|0,0,1]=2 37 B10R0.4 CCCCCCCCS(=O)C Z1198155780 [0,1,0,0,0,0|1,0,1]=3 38 B10R0.4 CCCCCCOCC(=O)O Z362795556 [0,1,0,0,0,0|1,0,1]=3 39 B10R0.4 CCOCCCCCC(=O)O Z1219750577 [0,1,0,0,0,0|1,0,1]=3 40 B10R0.4 COCCCOCCC(=O)O Z608071756 [0,1,0,0,0,0|2,0,1]=4 41 B10R0.4 COCCOCCCC(=O)O Z316259206 [0,1,0,0,0,0|2,0,1]=4 42 B10R0.4 CSCCCCCCC(=O)O Z1262519805 [0,1,0,0,0,0|1,0,1]=3 43 B10R0.4 NCCCCCCCC(=O)O Z1201625777 [0,1,0,0,0,0|1,0,1]=3 44 B10R0.71 C=CCCCCCCCCN Z2083000288 [0,1,0,0,0,0|1,0,1]=3 45 B10R0.71 CCCCCCCCCC=O Z104477054 [0,1,0,0,0,0|0,0,1]=2 46 B10R0.71 CCCCCCCCCCN Z362810900 [0,1,0,0,0,0|1,0,0]=2 47 B10R0.71 CCCCCCCCCNC Z752371288 [0,1,0,0,0,0|1,0,0]=2 48 B10R0.71 CCCCCNCCCOC Z137847940 [0,1,0,0,0,0|1,0,0]=2 49 B10R0.71 CCCCOCCOCCN Z362798458 [0,1,0,0,0,0|2,0,0]=3 50 B10R0.71 CSCCCCCCN=C=S Z1198161073 [0,1,0,0,0,0|1,1,1]=4 51 B10R0.71 OCCSCOCSCCO Z1896426427 [0,1,0,0,0,0|3,0,0]=4 52 B10R0.74 CCCCCCCC(C)CN Z415655116 [0,1,0,0,0,0|1,0,0]=2 53 B10R0.74 CCCCCCNC(=O)CCl Z147647954 [0,1,0,0,0,0|2,0,1]=4 54 B10R0.74 CCOCCOCC(O)CN Z285181508 [0,1,0,0,0,0|3,0,0]=4 55 B10R0.74 CNC(=O)CCCCCCN Z1457934838 [0,1,0,0,0,0|2,0,1]=4 56 B10R0.91 CCCCCN(C)CCC#N Z137832996 [0,1,0,0,0,0|2,0,1]=4 57 B10R0.91 CCCCNC(C)CCCC Z446072116 [0,1,0,0,0,0|2,0,0]=3 58 B10R1.4 CC1CCCCN1CC#N Z168932852 [0,0,0,1,0,0|2,0,1]=4 59 B10R1.4 CC1CCCCN1CCN Z271005826 [0,0,0,1,0,0|2,0,0]=3 60 B10R1.4 CC1CNCCN1CCO Z995013488 [0,0,0,1,0,0|2,0,0]=3 61 B10R1.4 CC1COCCN1CCN Z431555038 [0,0,0,1,0,0|3,0,0]=4 62 B10R1.4 CCCC1CCCCC1O Z854050598 [0,0,0,1,0,0|0,0,0]=1 63 B10R1.4 CCCC1NCCCC1C Z1267773702 [0,0,0,1,0,0|2,0,0]=3 64 B10R1.4 CCNC1CCCCC1C Z2143574194 [0,0,0,1,0,0|2,0,0]=3 65 B10R1.4 CCSC1CCCCC1N Z1238713176 [0,0,0,1,0,0|2,0,0]=3 66 B10R1.4 CN1CCCCC1CCO Z139565496 [0,0,0,1,0,0|1,0,0]=2 67 B10R1.4 NCC[C@@H]1CCCC[C@@H]1O Z2915288574 [0,0,0,1,0,0|1,0,0]=2 68 B10R1.4 NCC[C@@H]1CCCC[C@H]1O Z3993260243 [0,0,0,1,0,0|1,0,0]=2 69 B10R1.4 O=C1CCCCN1CCO Z425794954 [0,0,0,1,0,0|2,0,1]=4 70 B10R1.4 O=C1NCCCC1CCO Z1203749596 [0,0,0,1,0,0|2,0,1]=4 71 B10R1.5 C#CCN1CCCC1CO Z817027478 [0,0,0,1,0,0|1,0,2]=4 72 B10R1.5 CCN1CCCC1CNC Z139573692 [0,0,0,1,0,0|3,0,0]=4 73 B10R1.17 C#CCCN1CCCCC1 Z840363374 [0,0,0,1,0,0|2,0,1]=4 74 B10R1.17 C#CCNC1CCCCC1 Z910843080 [0,0,0,1,0,0|2,0,1]=4 75 B10R1.17 C=CCCC1CCCNC1 Z4456666883 [0,0,0,1,0,0|2,0,1]=4 76 B10R1.17 CCCNC1CCCCC1 Z57396800 [0,0,0,1,0,0|2,0,0]=3 77 B10R1.17 CCCNC1CCOCC1 Z3251708452 [0,0,0,1,0,0|3,0,0]=4 78 B10R1.17 CCCOC1CCCNC1 Z334959364 [0,0,0,1,0,0|3,0,0]=4 79 B10R1.17 CCCOC1CCNCC1 Z3235019635 [0,0,0,1,0,0|3,0,0]=4 80 B10R1.17 CCOCC1CCCCN1 Z2261981710 [0,0,0,1,0,0|2,0,0]=3 81 B10R1.17 CCOCC1CCCNC1 Z1267881664 [0,0,0,1,0,0|3,0,0]=4 82 B10R1.17 CCOCC1CCNCC1 Z1267773813 [0,0,0,1,0,0|3,0,0]=4 83 B10R1.17 CNCCC1CCNCC1 Z2686452655 [0,0,0,1,0,0|3,0,0]=4 84 B10R1.17 CNCCC1CCOCC1 Z992744046 [0,0,0,1,0,0|3,0,0]=4 85 B10R1.17 COCCC1COCCN1 Z1813175691 [0,0,0,1,0,0|3,0,0]=4 86 B10R1.17 ClCCCN1CCOCC1 Z440824950 [0,0,0,1,0,0|3,0,0]=4 87 B10R1.17 FCCCC1CCNCC1 Z3485638961 [0,0,0,1,0,0|2,0,0]=3 88 B10R1.17 FCCNC1CCOCC1 Z5919610119 [0,0,0,1,0,0|3,0,0]=4 89 B10R1.17 N#CCCC1CCCCC1 Z382691354 [0,0,0,1,0,0|1,0,1]=3 90 B10R1.17 N#CCCC1CCCCO1 Z1182488755 [0,0,0,1,0,0|1,0,1]=3 91 B10R1.17 N#CCCC1CCNCC1 Z2379802701 [0,0,0,1,0,0|2,0,1]=4 92 B10R1.17 N#CCCC1CCOCC1 Z979766266 [0,0,0,1,0,0|2,0,1]=4 93 B10R1.17 N#CCCN1CCCCC1 Z53115952 [0,0,0,1,0,0|2,0,1]=4 94 B10R1.17 NCCCC1CCCCC1 Z234895793 [0,0,0,1,0,0|1,0,0]=2 95 B10R1.17 NCCCC1CCCCO1 Z1182485873 [0,0,0,1,0,0|1,0,0]=2 96 B10R1.17 NCCCC1CCOCC1 Z979765666 [0,0,0,1,0,0|2,0,0]=3 97 B10R1.17 NCCCN1CCCCC1 Z2895178979 [0,0,0,1,0,0|2,0,0]=3 98 B10R1.17 NCCCN1CCSCC1 Z352258226 [0,0,0,1,0,0|3,0,0]=4 99 B10R1.17 NCCNC1CCCCC1 Z4766278182 [0,0,0,1,0,0|2,0,0]=3 100 B10R1.17 NCCOC1CCSCC1 Z2939998612 [0,0,0,1,0,0|3,0,0]=4 101 B10R1.17 O=CCCC1CCCCC1 Z57921395 [0,0,0,1,0,0|0,0,2]=3 102 B10R1.17 O=CCCC1CCOCC1 Z993017668 [0,0,0,1,0,0|1,0,2]=4 103 B10R1.17 OCC#CC1CCCCC1 Z1618119110 [0,0,0,1,0,0|0,0,2]=3 104 B10R1.17 OCCCC1CCCCC1 Z87002514 [0,0,0,1,0,0|0,0,0]=1 105 B10R1.17 OCCCC1CCCCO1 Z1182486786 [0,0,0,1,0,0|1,0,0]=2 106 B10R1.17 OCCCC1CCNCC1 Z3234916305 [0,0,0,1,0,0|1,0,0]=2 107 B10R1.17 OCCCC1CCOCC1 Z993012578 [0,0,0,1,0,0|1,0,0]=2 108 B10R1.17 OCCCN1CCCCC1 Z169222610 [0,0,0,1,0,0|1,0,0]=2 109 B10R1.17 OCCCN1CCNCC1 Z1262250863 [0,0,0,1,0,0|2,0,0]=3 110 B10R1.17 OCCCN1CCOCC1 Z149158826 [0,0,0,1,0,0|2,0,0]=3 111 B10R1.17 OCCCN1CCSCC1 Z425793714 [0,0,0,1,0,0|2,0,0]=3 112 B10R1.17 OCCNC1CCCCC1 Z90504557 [0,0,0,1,0,0|1,0,0]=2 113 B10R1.17 OCCNC1CCOCC1 Z440604238 [0,0,0,1,0,0|2,0,0]=3 114 B10R1.17 OCCOC1CCCCC1 Z362785382 [0,0,0,1,0,0|1,0,0]=2 115 B10R1.17 OCCOC1CCCNC1 Z335092414 [0,0,0,1,0,0|2,0,0]=3 116 B10R1.17 OCCOC1CCNCC1 Z332382594 [0,0,0,1,0,0|2,0,0]=3 117 B10R1.19 COC1CCCCCC1N Z1357823917 [0,0,0,1,0,0|2,0,0]=3 118 B10R1.19 NC1CCCCCC1CO Z1407007412 [0,0,0,1,0,0|1,0,0]=2 119 B10R1.19 O=C1CCCCCN1CO Z162882232 [0,0,0,1,0,0|2,0,1]=4 120 B10R1.19 O=C1NCCCCC1CO Z2756841892 [0,0,0,1,0,0|2,0,1]=4 121 B10R1.20 CCC1CCCCC1C#N Z1162465704 [0,0,0,1,0,0|1,0,1]=3 122 B10R1.20 CCC1CCCCC1C=O Z1183459036 [0,0,0,1,0,0|0,0,2]=3 123 B10R1.20 CCC1CCCCC1CN Z2235386892 [0,0,0,1,0,0|1,0,0]=2 124 B10R1.20 CCC1CCCCC1NC Z813020678 [0,0,0,1,0,0|2,0,0]=3 125 B10R1.20 CCN1CCCCC1CN Z326178796 [0,0,0,1,0,0|2,0,0]=3 126 B10R1.20 CCN1CCCCC1CO Z137992830 [0,0,0,1,0,0|1,0,0]=2 127 B10R1.20 COC1COCCC1CN Z2235681472 [0,0,0,1,0,0|3,0,0]=4 128 B10R1.21 C#CCNCC1CCCO1 Z111726456 [0,0,0,1,0,0|1,0,2]=4 129 B10R1.21 CCCCCC1CCCN1 Z1463349165 [0,0,0,1,0,0|1,0,0]=2 130 B10R1.21 CCCCNC1CCCC1 Z223658284 [0,0,0,1,0,0|2,0,0]=3 131 B10R1.21 CNCCCN1CCCC1 Z164136876 [0,0,0,1,0,0|3,0,0]=4 132 B10R1.21 COCCNC1CCCC1 Z969560760 [0,0,0,1,0,0|3,0,0]=4 133 B10R1.21 N#CCCOC1CCCC1 Z317037708 [0,0,0,1,0,0|2,0,1]=4 134 B10R1.21 NCCCCC1CCCC1 Z1203590193 [0,0,0,1,0,0|1,0,0]=2 135 B10R1.21 NCCCCN1CCCC1 Z285162574 [0,0,0,1,0,0|2,0,0]=3 136 B10R1.21 NCCCOC1CCOC1 Z1138838660 [0,0,0,1,0,0|3,0,0]=4 137 B10R1.21 NCCOCC1CCCC1 Z976679450 [0,0,0,1,0,0|2,0,0]=3 138 B10R1.21 NCCOCC1CCOC1 Z825747036 [0,0,0,1,0,0|3,0,0]=4 139 B10R1.21 O=CCCOC1CCCC1 Z1080366666 [0,0,0,1,0,0|1,0,2]=4 140 B10R1.21 OCCCCN1CCCC1 Z425793748 [0,0,0,1,0,0|1,0,0]=2 141 B10R1.21 OCCCNC1CCSC1 Z90505835 [0,0,0,1,0,0|2,0,0]=3 142 B10R1.21 OCCCOC1CCCC1 Z362785376 [0,0,0,1,0,0|1,0,0]=2 143 B10R1.21 OCCOCC1CCCC1 Z1201627417 [0,0,0,1,0,0|1,0,0]=2 144 B10R1.29 CC1CCCC1NCCO Z1118527729 [0,0,0,1,0,0|1,0,0]=2 145 B10R1.29 CCCCC1CCCC1=O Z813018296 [0,0,0,1,0,0|0,0,2]=3 146 B10R1.29 CCCNC1CCOC1C Z4446039363 [0,0,0,1,0,0|3,0,0]=4 147 B10R1.29 CCOCC1CCCC1=O Z1333210851 [0,0,0,1,0,0|1,0,2]=4 148 B10R1.57 CCCCCOC1CNC1 Z1318513965 [0,0,0,1,0,0|3,0,0]=4 149 B10R1.57 N#CCCNCC1CCC1 Z401657342 [0,0,0,1,0,0|2,0,1]=4 150 B10R1.78 NC1CCCCCCCC1 Z3491522566 [0,0,0,1,0,0|1,0,0]=2 151 B10R1.78 O=C1CCCCCCCC1 Z1255382938 [0,0,0,1,0,0|0,0,2]=3 152 B10R1.78 O=C1CCCCCCCN1 Z1203730756 [0,0,0,1,0,0|1,0,2]=4 153 B10R1.85 C#CCN1CCCCCC1 Z103702314 [0,0,0,1,0,0|2,0,1]=4 154 B10R1.85 CCCC1CCCNCC1 Z425362308 [0,0,0,1,0,0|2,0,0]=3 155 B10R1.85 CCCN1CCCNCC1 Z239604574 [0,0,0,1,0,0|3,0,0]=4 156 B10R1.85 COCC1CCOCCN1 Z3485770280 [0,0,0,1,0,0|3,0,0]=4 157 B10R1.85 N#CCN1CCCCCC1 Z168829180 [0,0,0,1,0,0|2,0,1]=4 158 B10R1.85 NCCC1=CCCCCC1 Z1698549638 [0,0,0,1,0,0|1,0,2]=4 159 B10R1.85 NCCN1CCCCCC1 Z228588982 [0,0,0,1,0,0|2,0,0]=3 160 B10R1.85 O=CCC1CCCCCC1 Z1268611681 [0,0,0,1,0,0|0,0,2]=3 161 B10R1.85 OCCC1CCCCCC1 Z1198264962 [0,0,0,1,0,0|0,0,0]=1 162 B10R1.85 OCCN1CCCCCC1 Z197266168 [0,0,0,1,0,0|1,0,0]=2 163 B10R1.85 OCCN1CCCNCC1 Z271072370 [0,0,0,1,0,0|2,0,0]=3 164 B10R1.161 CCC1CCCCCCN1 Z5401717016 [0,0,0,1,0,0|1,0,0]=2 165 B10R1.161 CNC1CCCCCCC1 Z102766896 [0,0,0,1,0,0|2,0,0]=3 166 B10R1.161 N#CC1CCCCCCC1 Z415654854 [0,0,0,1,0,0|1,0,1]=3 167 B10R1.161 NCC1CCC=CCCC1 Z2934065913 [0,0,0,1,0,0|1,0,2]=4 168 B10R1.161 NCC1CCCCCCC1 Z1259155971 [0,0,0,1,0,0|1,0,0]=2 169 B10R1.161 O=CC1CCCCCCC1 Z1162184415 [0,0,0,1,0,0|0,0,2]=3 170 B10R1.177 CCCCCOCC1CO1 Z409358140 [0,0,0,1,0,0|1,0,0]=2 171 B7R0.1 CC#CCCCCO Z1233226212 [2,0,0,0,0,0|0,0,2]=4 172 B7R0.1 CCCCCCCO Z104473596 [2,0,0,0,0,0|0,0,0]=2 173 B7R0.1 CCCCCCNC Z5419328797 [2,0,0,0,0,0|1,0,0]=3 174 B7R0.1 CCCCOCCN Z409191398 [2,0,0,0,0,0|2,0,0]=4 175 B7R0.1 CCCOCCCO Z1080358966 [2,0,0,0,0,0|1,0,0]=3 176 B7R0.1 CCNCCOCC Z138138014 [2,0,0,0,0,0|2,0,0]=4 177 B7R0.1 CCOCCCCO Z993012560 [2,0,0,0,0,0|1,0,0]=3 178 B7R0.1 CNCCCCCN Z4097840720 [2,0,0,0,0,0|2,0,0]=4 179 B7R0.1 CNCCCCOC Z875082126 [2,0,0,0,0,0|2,0,0]=4 180 B7R0.1 COCCCCCN Z608347192 [2,0,0,0,0,0|2,0,0]=4 181 B7R0.1 COCCCCCO Z993012416 [2,0,0,0,0,0|1,0,0]=3 182 B7R0.1 COCCNCCO Z266088374 [2,0,0,0,0,0|2,0,0]=4 183 B7R0.1 COCCOCCO Z849748688 [2,0,0,0,0,0|2,0,0]=4 184 B7R0.1 CSCCCCCN Z823285026 [2,0,0,0,0,0|2,0,0]=4 185 B7R0.1 CSCCCCCO Z968557058 [2,0,0,0,0,0|1,0,0]=3 186 B7R0.1 CSCCCCSC Z1198148193 [2,0,0,0,0,0|2,0,0]=4 187 B7R0.1 NCCCCCCN Z104473514 [2,0,0,0,0,0|2,0,0]=4 188 B7R0.1 NCCOCCCO Z2044949087 [2,0,0,0,0,0|2,0,0]=4 189 B7R0.1 NCCSCCCO Z406685362 [2,0,0,0,0,0|2,0,0]=4 190 B7R0.1 OCCCCCCBr Z1255398867 [2,0,0,0,0,0|1,0,0]=3 191 B7R0.1 OCCCCCCO Z104473540 [2,0,0,0,0,0|1,0,0]=3 192 B7R0.1 OCCCNCCO Z104654390 [2,0,0,0,0,0|2,0,0]=4 193 B7R0.1 OCCCOCCO Z1373668758 [2,0,0,0,0,0|2,0,0]=4 194 B7R0.1 OCCCSCCO Z149155194 [2,0,0,0,0,0|2,0,0]=4 195 B9R0.2 CC(C)NCCOCCO Z2017842782 [1,1,0,0,0,0|2,0,0]=4 196 B9R0.2 CCCCCCCC(=O)O Z104495238 [1,1,0,0,0,0|0,0,1]=3 197 B9R0.2 CCCCCOCC(=O)O Z409357548 [1,1,0,0,0,0|1,0,1]=4 198 B9R0.2 CCCCSCCC(=O)O Z149304844 [1,1,0,0,0,0|1,0,1]=4 199 B9R0.2 CCCNCCCN(C)C Z334950180 [1,1,0,0,0,0|2,0,0]=4 200 B9R0.2 CCNCCCCC(=O)O Z2893830564 [1,1,0,0,0,0|1,0,1]=4 201 B9R0.2 NCCCCCCC(=O)O Z56896351 [1,1,0,0,0,0|1,0,1]=4 202 B9R0.5 CCCCCC(O)CCO Z1198158015 [1,1,0,0,0,0|0,0,0]=2 203 B9R0.5 CCCCNC(=O)CCC Z31763357 [1,1,0,0,0,0|1,0,1]=4 204 B9R0.18 CCCCC(N)CCCC Z5099120554 [1,1,0,0,0,0|0,0,0]=2 205 B9R0.46 CCCCCCC(C)CO Z1238840360 [1,1,0,0,0,0|0,0,0]=2 206 B9R0.46 CCCCCCC(C)NN Z1691545122 [1,1,0,0,0,0|2,0,0]=4 207 B9R0.46 CCCCCCC(C)OC Z1416182763 [1,1,0,0,0,0|1,0,0]=3 208 B9R0.46 CCCCCCC(N)CC Z5869944669 [1,1,0,0,0,0|0,0,0]=2 209 B11R0.2 CCCCCCC(C)CC(=O)O Z362824108 [0,2,0,0,0,0|0,0,1]=3 210 B11R0.2 CCCCCCN(C)CC(=O)O Z1259273334 [0,2,0,0,0,0|1,0,1]=4 211 B11R0.4 CCOC(=O)CCCCCCN Z444311558 [0,2,0,0,0,0|1,0,1]=4 212 B11R0.161 CCCCCCC(CC)CNC Z2582907771 [0,2,0,0,0,0|2,0,0]=4 213 B11R0.30 CC(=O)CCCCCCC(=O)O Z1262510893 [0,2,0,0,0,0|0,0,2]=4 214 B11R0.30 CC(C)CCNCCCC(=O)O Z1696091863 [0,2,0,0,0,0|1,0,1]=4 215 B11R0.40 COC(=O)CCCCCCCN Z1416203196 [0,2,0,0,0,0|1,0,1]=4 216 B11R0.46 CCCCCN(C)CCC(=O)O Z1459932154 [0,2,0,0,0,0|1,0,1]=4 217 B11R0.111 CCC(N)COCCCC(=O)O Z5332674953 [0,2,0,0,0,0|1,0,1]=4 218 B11R0.148 CCCCCCCCCC(=O)O Z104474944 [0,2,0,0,0,0|0,0,0]=2 219 B11R0.148 CCCCCCCCNC(=O)C Z1509141066 [0,2,0,0,0,0|0,0,2]=4 220 B11R0.148 CCCCCCCNCC(=O)O Z1259273296 [0,2,0,0,0,0|0,0,1]=3 221 B11R0.148 CN(C)CCNCCOCCO Z139112030 [0,2,0,0,0,0|2,0,0]=4 222 B11R0.148 CNCCCNCCCC(=O)O Z1537009544 [0,2,0,0,0,0|1,0,1]=4 223 B11R0.3 CCCCCCCCCCC=O Z993017862 [0,2,0,0,0,0|0,0,1]=3 224 B11R0.3 CCCCCCCCCCNC Z102767086 [0,2,0,0,0,0|1,0,0]=3 225 B11R0.3 CCCCCCCCSCCO Z425753146 [0,2,0,0,0,0|0,0,0]=2 226 B11R0.3 CCCCCCCNCCCO Z139305228 [0,2,0,0,0,0|0,0,0]=2 227 B11R0.3 COCCOCCOCCOC Z409380232 [0,2,0,0,0,0|2,0,0]=4 228 B11R0.3 OCCSCCCCSCCO Z1269109601 [0,2,0,0,0,0|1,0,0]=3 229 B11R0.140 CCCCCN(C)CCCCC Z138914642 [0,2,0,0,0,0|1,0,0]=3 230 B11R0.154 CCCCCN(C)CC(O)CN Z409445498 [0,2,0,0,0,0|2,0,0]=4 231 B9R1.4 CNC[C@@H]1CC[C@H]1OC Z5183373543 [1,0,0,1,0,0|2,0,0]=4 232 B9R1.5 N[C@@H]1CCCCC[C@H]1O Z1198180675 [1,0,0,1,0,0|1,0,0]=3 233 B9R1.5 N[C@H]1CCCCC[C@H]1N Z2895202592 [1,0,0,1,0,0|2,0,0]=4 234 B9R1.5 O[C@H]1CCNCC[C@H]1O Z3681811836 [1,0,0,1,0,0|2,0,0]=4 235 B9R1.8 CCCC1CCCCN1 Z1665033554 [1,0,0,1,0,0|1,0,0]=3 236 B9R1.8 CCCC1CCCNC1 Z1404660494 [1,0,0,1,0,0|1,0,0]=3 237 B9R1.8 CCCC1CCNCC1 Z963408928 [1,0,0,1,0,0|1,0,0]=3 238 B9R1.8 CCCC1CNCCN1 Z1203732978 [1,0,0,1,0,0|2,0,0]=4 239 B9R1.8 CCCC1CNCCO1 Z1203829779 [1,0,0,1,0,0|1,0,0]=3 240 B9R1.8 CCCC1COCCN1 Z4607148847 [1,0,0,1,0,0|2,0,0]=4 241 B9R1.8 CCNC1CCCCC1 Z235346963 [1,0,0,1,0,0|1,0,0]=3 242 B9R1.8 CCNC1CCCOC1 Z2432621390 [1,0,0,1,0,0|2,0,0]=4 243 B9R1.8 CCOC1CCCNC1 Z334959362 [1,0,0,1,0,0|2,0,0]=4 244 B9R1.8 CCOC1CCNCC1 Z274503162 [1,0,0,1,0,0|2,0,0]=4 245 B9R1.8 CNCC1CCCCC1 Z102767074 [1,0,0,1,0,0|1,0,0]=3 246 B9R1.8 CNCC1CCNCC1 Z3302817319 [1,0,0,1,0,0|2,0,0]=4 247 B9R1.8 COCC1CCCCN1 Z2238934630 [1,0,0,1,0,0|2,0,0]=4 248 B9R1.8 COCC1CCCNC1 Z317037142 [1,0,0,1,0,0|2,0,0]=4 249 B9R1.8 COCC1CCNCC1 Z1267773745 [1,0,0,1,0,0|2,0,0]=4 250 B9R1.8 COCC1CNCCO1 Z1171972187 [1,0,0,1,0,0|2,0,0]=4 251 B9R1.8 ClCCN1CCCCC1 Z235354563 [1,0,0,1,0,0|2,0,0]=4 252 B9R1.8 N#CCC1CCCCC1 Z295382924 [1,0,0,1,0,0|1,0,1]=4 253 B9R1.8 NCCC1CCCCC1 Z367451182 [1,0,0,1,0,0|1,0,0]=3 254 B9R1.8 NCCC1CCCCO1 Z432420620 [1,0,0,1,0,0|1,0,0]=3 255 B9R1.8 NCCC1CCNCC1 Z756921054 [1,0,0,1,0,0|2,0,0]=4 256 B9R1.8 NCCC1CCOCC1 Z851015130 [1,0,0,1,0,0|2,0,0]=4 257 B9R1.8 NCCC1CCSCC1 Z2768149804 [1,0,0,1,0,0|2,0,0]=4 258 B9R1.8 O=CCC1CCCCC1 Z993017728 [1,0,0,1,0,0|0,0,2]=4 259 B9R1.8 O=CCC1CCCCO1 Z1511748073 [1,0,0,1,0,0|1,0,1]=4 260 B9R1.8 OCCC1CCCCC1 Z397587116 [1,0,0,1,0,0|0,0,0]=2 261 B9R1.8 OCCC1CCCCO1 Z1198184633 [1,0,0,1,0,0|1,0,0]=3 262 B9R1.8 OCCC1CCCNC1 Z1263820461 [1,0,0,1,0,0|1,0,0]=3 263 B9R1.8 OCCC1CCCOC1 Z1198309922 [1,0,0,1,0,0|1,0,0]=3 264 B9R1.8 OCCC1CCNCC1 Z336087886 [1,0,0,1,0,0|1,0,0]=3 265 B9R1.8 OCCC1CCOCC1 Z1178491138 [1,0,0,1,0,0|1,0,0]=3 266 B9R1.8 OCCC1CSCCN1 Z1375026565 [1,0,0,1,0,0|2,0,0]=4 267 B9R1.8 OCCN1CCCCC1 Z104479032 [1,0,0,1,0,0|1,0,0]=3 268 B9R1.8 OCCN1CCNCC1 Z104477190 [1,0,0,1,0,0|2,0,0]=4 269 B9R1.8 OCCN1CCOCC1 Z104474266 [1,0,0,1,0,0|2,0,0]=4 270 B9R1.8 OCCN1CCSCC1 Z425793720 [1,0,0,1,0,0|2,0,0]=4 271 B9R1.12 CCCCC1CCCN1 Z3244909133 [1,0,0,1,0,0|1,0,0]=3 272 B9R1.12 CCCNC1CCCC1 Z1076533152 [1,0,0,1,0,0|1,0,0]=3 273 B9R1.12 CCNCC1CCCO1 Z810541800 [1,0,0,1,0,0|1,0,0]=3 274 B9R1.12 CCNCC1CCOC1 Z316387370 [1,0,0,1,0,0|2,0,0]=4 275 B9R1.12 CCOCC1CCNC1 Z976733020 [1,0,0,1,0,0|2,0,0]=4 276 B9R1.12 CNCCC1CCCO1 Z1801307836 [1,0,0,1,0,0|1,0,0]=3 277 B9R1.12 CNCCN1CCCC1 Z138105840 [1,0,0,1,0,0|2,0,0]=4 278 B9R1.12 COCCC1CCNC1 Z1201627339 [1,0,0,1,0,0|2,0,0]=4 279 B9R1.12 NCCCC1CCCC1 Z744843730 [1,0,0,1,0,0|1,0,0]=3 280 B9R1.12 NCCCC1CCOC1 Z1198224817 [1,0,0,1,0,0|2,0,0]=4 281 B9R1.12 NCCNC1CCCC1 Z4158574763 [1,0,0,1,0,0|2,0,0]=4 282 B9R1.12 NCCOC1CCCC1 Z594038064 [1,0,0,1,0,0|2,0,0]=4 283 B9R1.12 NCCSC1CCCC1 Z1263714075 [1,0,0,1,0,0|2,0,0]=4 284 B9R1.12 O=CCCC1CCCC1 Z993017672 [1,0,0,1,0,0|0,0,2]=4 285 B9R1.12 O=CCCC1CCCO1 Z993017666 [1,0,0,1,0,0|1,0,1]=4 286 B9R1.12 OCCCC1CCCN1 Z979444798 [1,0,0,1,0,0|1,0,0]=3 287 B9R1.12 OCCCC1CCCO1 Z993012576 [1,0,0,1,0,0|1,0,0]=3 288 B9R1.12 OCCNC1CCCC1 Z1162448840 [1,0,0,1,0,0|1,0,0]=3 289 B9R1.12 OCCOC1CCCC1 Z362785380 [1,0,0,1,0,0|1,0,0]=3 290 B9R1.14 CNC1CCCC1SC Z1238736794 [1,0,0,1,0,0|2,0,0]=4 291 B9R1.14 NC[C@@H]1CCC[C@H]1CF Z5489491630 [1,0,0,1,0,0|2,0,0]=4 292 B9R1.15 C#CC1CCCCC1O Z1725997828 [1,0,0,1,0,0|0,0,2]=4 293 B9R1.15 CC1CC=CCC1CO Z104479344 [1,0,0,1,0,0|0,0,2]=4 294 B9R1.15 CC1CCCCC1C#N Z415654838 [1,0,0,1,0,0|1,0,1]=4 295 B9R1.15 CC1CCCCC1C=O Z1268606365 [1,0,0,1,0,0|0,0,2]=4 296 B9R1.15 CC1CCCCC1CN Z415655074 [1,0,0,1,0,0|1,0,0]=3 297 B9R1.15 CC1COCCC1CN Z1255367314 [1,0,0,1,0,0|2,0,0]=4 298 B9R1.15 CCC1CCCCC1N Z368844574 [1,0,0,1,0,0|1,0,0]=3 299 B9R1.15 CCC1CCCCC1O Z104476198 [1,0,0,1,0,0|0,0,0]=2 300 B9R1.15 CCN1CCNCC1C Z995014084 [1,0,0,1,0,0|2,0,0]=4 301 B9R1.15 CN1CCNCC1CO Z2738358229 [1,0,0,1,0,0|2,0,0]=4 302 B9R1.15 CNC1CCCCC1C Z324553050 [1,0,0,1,0,0|1,0,0]=3 303 B9R1.15 CNC1CCOCC1C Z4641453836 [1,0,0,1,0,0|2,0,0]=4 304 B9R1.15 COC1CCCCC1N Z285187676 [1,0,0,1,0,0|2,0,0]=4 305 B9R1.15 COC1CCCCC1O Z425453594 [1,0,0,1,0,0|1,0,0]=3 306 B9R1.15 COC1CCNCC1C Z2235681426 [1,0,0,1,0,0|2,0,0]=4 307 B9R1.15 COC1CNCCC1C Z1778561134 [1,0,0,1,0,0|2,0,0]=4 308 B9R1.15 CO[C@@H]1CCCC[C@@H]1N Z4658510162 [1,0,0,1,0,0|2,0,0]=4 309 B9R1.15 CO[C@@H]1CCCC[C@H]1O Z3344357599 [1,0,0,1,0,0|1,0,0]=3 310 B9R1.15 CO[C@@H]1CCCN[C@@H]1C Z3379439443 [1,0,0,1,0,0|2,0,0]=4 311 B9R1.15 CS[C@H]1CCCC[C@@H]1N Z2182116696 [1,0,0,1,0,0|2,0,0]=4 312 B9R1.15 C[C@@H]1CCCN[C@@H]1CO Z2737203189 [1,0,0,1,0,0|1,0,0]=3 313 B9R1.15 C[C@@H]1NCCC[C@@H]1CO Z5613103409 [1,0,0,1,0,0|1,0,0]=3 314 B9R1.15 NCC1CCCCC1O Z409444222 [1,0,0,1,0,0|1,0,0]=3 315 B9R1.15 NC[C@@H]1CCCC[C@@H]1O Z2306746656 [1,0,0,1,0,0|1,0,0]=3 316 B9R1.15 OCC1CCCCC1O Z1198163949 [1,0,0,1,0,0|1,0,0]=3 317 B9R1.16 CC1CC1CCCC=O Z3271342479 [1,0,0,1,0,0|0,0,2]=4 318 B9R1.17 NCCCCC1CCC1 Z5398432947 [1,0,0,1,0,0|1,0,0]=3 319 B9R1.17 NCCOCC1CCC1 Z1263592136 [1,0,0,1,0,0|2,0,0]=4 320 B9R1.17 OCCCNC1CCC1 Z859816160 [1,0,0,1,0,0|1,0,0]=3 321 B9R1.17 OCCOCC1CCC1 Z2256067074 [1,0,0,1,0,0|1,0,0]=3 322 B9R1.33 CCN[C@@H]1CCC[C@H]1O Z1796000613 [1,0,0,1,0,0|1,0,0]=3 323 B9R1.33 CCSC1CCCC1N Z1238713136 [1,0,0,1,0,0|2,0,0]=4 324 B9R1.33 CN1CCCC1CCN Z1255415415 [1,0,0,1,0,0|2,0,0]=4 325 B9R1.33 CN1CCCC1CCO Z607750234 [1,0,0,1,0,0|1,0,0]=3 326 B9R1.33 CNCC1CCCC1O Z1268477814 [1,0,0,1,0,0|1,0,0]=3 327 B9R1.33 CNCC1CCCN1C Z827158786 [1,0,0,1,0,0|2,0,0]=4 328 B9R1.33 NC1CCCC1CCO Z1509036975 [1,0,0,1,0,0|1,0,0]=3 329 B9R1.33 NCC[C@@H]1CCC[C@@H]1O Z4317048669 [1,0,0,1,0,0|1,0,0]=3 330 B9R1.33 NCC[C@@H]1CCC[C@H]1O Z3272980752 [1,0,0,1,0,0|1,0,0]=3 331 B9R1.50 CC1CCCCCCN1 Z3487835965 [1,0,0,1,0,0|1,0,0]=3 332 B9R1.50 CN1CCCNCCC1 Z2310677612 [1,0,0,1,0,0|2,0,0]=4 333 B9R1.50 NC1CCCCCCC1 Z104478188 [1,0,0,1,0,0|1,0,0]=3 334 B9R1.50 O=C1CCCCCCC1 Z104474712 [1,0,0,1,0,0|0,0,2]=4 335 B9R1.50 OC1CCCCCCC1 Z104472780 [1,0,0,1,0,0|0,0,0]=2 336 B9R1.83 C=CCCCCC1CO1 Z1255356056 [1,0,0,1,0,0|0,0,2]=4 337 B9R1.83 CCCCCCC1CO1 Z1020680070 [1,0,0,1,0,0|0,0,0]=2 338 B9R1.83 CCCCOCC1CO1 Z409191626 [1,0,0,1,0,0|1,0,0]=3 339 B9R1.83 CNCCOCC1CC1 Z839536900 [1,0,0,1,0,0|2,0,0]=4 340 B9R1.83 COCCOCC1CO1 Z285181540 [1,0,0,1,0,0|2,0,0]=4 341 B9R1.83 NCCOCCC1CC1 Z3629170058 [1,0,0,1,0,0|2,0,0]=4 342 B9R1.83 O=CCCCCC1CC1 Z3002702510 [1,0,0,1,0,0|0,0,2]=4 343 B9R1.83 OCCCCNC1CC1 Z839096664 [1,0,0,1,0,0|1,0,0]=3 344 B9R1.83 OCCCOCC1CO1 Z4201876111 [1,0,0,1,0,0|2,0,0]=4 345 B9R1.89 CCC1CCCCCN1 Z992736884 [1,0,0,1,0,0|1,0,0]=3 346 B9R1.89 CCC1CCCNCC1 Z425362302 [1,0,0,1,0,0|1,0,0]=3 347 B9R1.89 CCC1CCNCCO1 Z3275232542 [1,0,0,1,0,0|1,0,0]=3 348 B9R1.89 CCC1CCOCCN1 Z3275231194 [1,0,0,1,0,0|2,0,0]=4 349 B9R1.89 CCN1CCCNCC1 Z239604554 [1,0,0,1,0,0|2,0,0]=4 350 B9R1.89 CNC1CCCCCC1 Z102766800 [1,0,0,1,0,0|1,0,0]=3 351 B9R1.89 CNC1CCCNCC1 Z1171155633 [1,0,0,1,0,0|2,0,0]=4 352 B9R1.89 CNC1CCCOCC1 Z5794487564 [1,0,0,1,0,0|2,0,0]=4 353 B9R1.89 COC1CCCNCC1 Z2492774475 [1,0,0,1,0,0|2,0,0]=4 354 B9R1.89 CSC1CCCCNC1 Z1462950888 [1,0,0,1,0,0|2,0,0]=4 355 B9R1.89 FCC1CNCCCO1 Z2295370275 [1,0,0,1,0,0|2,0,0]=4 356 B9R1.89 NCC1CCCCCC1 Z415655096 [1,0,0,1,0,0|1,0,0]=3 357 B9R1.89 NCC1CCCOCC1 Z4438964521 [1,0,0,1,0,0|2,0,0]=4 358 B9R1.89 NCC1CCCSCC1 Z3037487975 [1,0,0,1,0,0|2,0,0]=4 359 B9R1.89 O=CC1CCCCCC1 Z1079442748 [1,0,0,1,0,0|0,0,2]=4 360 B9R1.89 OCC1CCCCCC1 Z992928672 [1,0,0,1,0,0|0,0,0]=2 361 B9R1.89 OCC1CCCCNC1 Z1318147457 [1,0,0,1,0,0|1,0,0]=3 362 B9R1.103 C1CCCCNCCC1 Z1203730912 [1,0,0,1,0,0|1,0,0]=3 363 B9R1.103 C1COCCOCCN1 Z3477416729 [1,0,0,1,0,0|2,0,0]=4 364 B11R1.4 CCCNCCN1CCCC1 Z138447972 [0,1,0,1,0,0|2,0,0]=4 365 B11R1.4 CCNCCCN1CCCC1 Z164136944 [0,1,0,1,0,0|2,0,0]=4 366 B11R1.4 COCCOCC1CCNC1 Z976732884 [0,1,0,1,0,0|2,0,0]=4 367 B11R1.4 N#CCCNCC1CCCC1 Z369496824 [0,1,0,1,0,0|1,0,1]=4 368 B11R1.4 N#CCCOCC1CCCO1 Z317037884 [0,1,0,1,0,0|1,0,1]=4 369 B11R1.4 NCCCOCC1CCOC1 Z825747038 [0,1,0,1,0,0|2,0,0]=4 370 B11R1.16 CCCC(=O)C1CCCCC1 Z513735512 [0,1,0,1,0,0|1,0,1]=4 371 B11R1.16 CCCC(N)C1CCCCC1 Z513797868 [0,1,0,1,0,0|1,0,0]=3 372 B11R1.16 CN(CCN)C1CCCCC1 Z425389760 [0,1,0,1,0,0|2,0,0]=4 373 B11R1.16 CN(CCO)C1CCCCC1 Z159528828 [0,1,0,1,0,0|1,0,0]=3 374 B11R1.16 CNCC(C)C1CCCCC1 Z2680755428 [0,1,0,1,0,0|2,0,0]=4 375 B11R1.16 NC(CCO)C1CCCCC1 Z979743602 [0,1,0,1,0,0|0,0,0]=2 376 B11R1.16 NC(CCO)C1CCOCC1 Z1688198423 [0,1,0,1,0,0|1,0,0]=3 377 B11R1.24 CC1CCCN(C1)CCCN Z271005844 [0,1,0,1,0,0|2,0,0]=4 378 B11R1.24 CC1CN(CCO1)CCCO Z216849610 [0,1,0,1,0,0|2,0,0]=4 379 B11R1.24 COCCN1CCCC(C1)O Z168922792 [0,1,0,1,0,0|2,0,0]=4 380 B11R1.101 CN1CCCCCNCCC1 Z2941505335 [0,1,0,1,0,0|2,0,0]=4 381 B11R1.101 NC1CCCCCCCCC1 Z3244659869 [0,1,0,1,0,0|1,0,0]=3 382 B11R1.101 O=C1CCCCCCCCN1 Z1255465322 [0,1,0,1,0,0|0,0,2]=4 383 B11R1.117 CNCC1CCCCCCC1 Z1258570420 [0,1,0,1,0,0|1,0,0]=3 384 B11R1.180 COCCNC1CCCC1C Z1118527884 [0,1,0,1,0,0|1,0,0]=3 385 B11R1.180 COCCNC1CCOC1C Z1486610470 [0,1,0,1,0,0|2,0,0]=4 386 B11R1.189 CCC1CCCN(C1)CCO Z432066516 [0,1,0,1,0,0|1,0,0]=3 387 B11R1.189 CCN1CCCC(C1)CCN Z4763563512 [0,1,0,1,0,0|2,0,0]=4 388 B11R1.189 NCC1CCCN(C1)CCO Z3826876299 [0,1,0,1,0,0|2,0,0]=4 389 B11R1.779 CNCC1(CCCCCC1)O Z1742055045 [0,1,0,1,0,0|2,0,0]=4 390 B11R1.27 CCCCCC1CCC(=O)O1 Z1255430984 [0,1,0,1,0,0|0,0,1]=3 391 B11R1.53 CC(=O)N1CCCCC1CO Z275745460 [0,1,0,1,0,0|1,0,1]=4 392 B11R1.53 CC(C)C1OCCCC1CN Z1334512825 [0,1,0,1,0,0|2,0,0]=4 393 B11R1.53 CC(C)N1CCCCC1CN Z326202714 [0,1,0,1,0,0|2,0,0]=4 394 B11R1.53 CCC1CCCCC1C(=O)O Z1162465707 [0,1,0,1,0,0|0,0,1]=3 395 B11R1.53 CCC1OCCCC1C(=O)O Z1318264671 [0,1,0,1,0,0|1,0,1]=4 396 B11R1.53 CCN1CCCCC1C(=O)O Z803129924 [0,1,0,1,0,0|1,0,1]=4 397 B11R1.53 COC1CCCCC1C(=O)O Z1080715176 [0,1,0,1,0,0|1,0,1]=4 398 B11R1.53 NC[C@@H]1CCCC[C@@H]1C(=O)O Z2915026000 [0,1,0,1,0,0|1,0,1]=4 399 B11R1.57 CC(C)CN1CCC[C@@H]1CN Z3037733801 [0,1,0,1,0,0|2,0,0]=4 400 B11R1.57 CC(C)CN1CCC[C@H]1CN Z1493055955 [0,1,0,1,0,0|2,0,0]=4 401 B11R1.57 CCN1CCCC1CC(=O)O Z1695906928 [0,1,0,1,0,0|1,0,1]=4 402 B11R1.86 CC(C)CC1CCCCC1N Z3406095613 [0,1,0,1,0,0|1,0,0]=3 403 B11R1.86 CC(C)CC1CNCCC1O Z5041247022 [0,1,0,1,0,0|1,0,0]=3 404 B11R1.86 CC(C)CC1COCCC1O Z1860395874 [0,1,0,1,0,0|1,0,0]=3 405 B11R1.86 CC(C)CC1OCCCC1N Z1723549276 [0,1,0,1,0,0|2,0,0]=4 406 B11R1.86 CC(O)CN1CCNCC1C Z995015012 [0,1,0,1,0,0|2,0,0]=4 407 B11R1.86 CC1CCCCC1CC(=O)O Z352783476 [0,1,0,1,0,0|0,0,1]=3 408 B11R1.86 CC1CCNCC1CC(=O)O Z2515281558 [0,1,0,1,0,0|1,0,1]=4 409 B11R1.86 CN(C)CC1CCCCC1O Z56755628 [0,1,0,1,0,0|1,0,0]=3 410 B11R1.86 CN1CCCCC1CC(=O)O Z2106602368 [0,1,0,1,0,0|1,0,1]=4 411 B11R1.86 N[C@@H]1CCCC[C@@H]1CC(=O)O Z2235791115 [0,1,0,1,0,0|1,0,1]=4 412 B11R1.86 O=C(O)C[C@@H]1CCCC[C@H]1O Z1262514098 [0,1,0,1,0,0|1,0,1]=4 413 B11R1.90 CC(C)CCC1CCCC1=O Z813018302 [0,1,0,1,0,0|0,0,2]=4 414 B11R1.90 CC(C)CCC1CCCC1N Z813018522 [0,1,0,1,0,0|1,0,0]=3 415 B11R1.90 CN1CCCC1CCC(=O)O Z2517419474 [0,1,0,1,0,0|1,0,1]=4 416 B11R1.91 CC(=O)CCC1CCCCC1 Z406376884 [0,1,0,1,0,0|0,0,2]=4 417 B11R1.91 CC(C)CCC1CCCNC1 Z1416203156 [0,1,0,1,0,0|2,0,0]=4 418 B11R1.91 CC(C)CCC1CCNCC1 Z1416200879 [0,1,0,1,0,0|2,0,0]=4 419 B11R1.91 CC(C)CNC1CCCCC1 Z1259341026 [0,1,0,1,0,0|2,0,0]=4 420 B11R1.91 CC(C)OCC1CNCCO1 Z1184898597 [0,1,0,1,0,0|2,0,0]=4 421 B11R1.91 CC(O)CCC1CCCCC1 Z854048750 [0,1,0,1,0,0|0,0,0]=2 422 B11R1.91 CC(O)CCC1CCNCC1 Z4526202584 [0,1,0,1,0,0|1,0,0]=3 423 B11R1.91 CC(O)CCN1CCOCC1 Z854196274 [0,1,0,1,0,0|2,0,0]=4 424 B11R1.91 CC(O)CNC1CCCCC1 Z90526999 [0,1,0,1,0,0|1,0,0]=3 425 B11R1.91 CN(C)CCC1CCCCN1 Z336087874 [0,1,0,1,0,0|2,0,0]=4 426 B11R1.91 NC(=O)CCC1CCCCC1 Z33547070 [0,1,0,1,0,0|0,0,2]=4 427 B11R1.91 O=C(O)CCC1CCCCC1 Z104479892 [0,1,0,1,0,0|0,0,1]=3 428 B11R1.91 O=C(O)CCC1CCCCN1 Z1526503392 [0,1,0,1,0,0|1,0,1]=4 429 B11R1.91 O=C(O)CCC1CCCCO1 Z1167042736 [0,1,0,1,0,0|1,0,1]=4 430 B11R1.91 O=C(O)CCC1CCCNC1 Z839027062 [0,1,0,1,0,0|1,0,1]=4 431 B11R1.91 O=C(O)CCC1CCCOC1 Z1154555237 [0,1,0,1,0,0|1,0,1]=4 432 B11R1.91 O=C(O)CCC1CCNCC1 Z364250128 [0,1,0,1,0,0|1,0,1]=4 433 B11R1.91 O=C(O)CCC1CCOCC1 Z979765670 [0,1,0,1,0,0|1,0,1]=4 434 B11R1.91 O=C(O)CCN1CCCCC1 Z744843478 [0,1,0,1,0,0|1,0,1]=4 435 B11R1.91 O=C(O)CNC1CCCCC1 Z1259273154 [0,1,0,1,0,0|1,0,1]=4 436 B11R1.91 O=C(O)COC1CCCCC1 Z316258722 [0,1,0,1,0,0|1,0,1]=4 437 B11R1.143 N[C@@H]1CCCCC[C@@H]1C(=O)O Z2306862306 [0,1,0,1,0,0|1,0,1]=4 438 B11R1.172 CC(C)CCNC1CCCC1 Z90508783 [0,1,0,1,0,0|2,0,0]=4 439 B11R1.172 O=C(O)CCCC1CCCC1 Z1209411148 [0,1,0,1,0,0|0,0,1]=3 440 B11R1.172 O=C(O)CCCN1CCCC1 Z763029994 [0,1,0,1,0,0|1,0,1]=4 441 B11R1.172 O=C(O)CCNC1CCCC1 Z910841990 [0,1,0,1,0,0|1,0,1]=4 442 B11R1.172 O=C(O)CCSC1CCCC1 Z102926388 [0,1,0,1,0,0|1,0,1]=4 443 B11R1.172 O=C(O)COCC1CCCC1 Z1255418412 [0,1,0,1,0,0|1,0,1]=4 444 B11R1.191 CC1(CCCOC1CCN)C Z3371551476 [0,1,0,1,0,0|2,0,0]=4 445 B11R1.193 CCCC1CCCC1C(=O)O Z1434224393 [0,1,0,1,0,0|0,0,1]=3 446 B11R1.193 CCCC1CCNC1C(=O)O Z2217033073 [0,1,0,1,0,0|1,0,1]=4 447 B11R1.193 CCCN1CCCC1C(=O)O Z326520902 [0,1,0,1,0,0|1,0,1]=4 448 B11R1.568 NC1CCCCCCC1(F)F Z3281869143 [0,1,0,1,0,0|2,0,0]=4 449 B11R1.568 OC1CCCNCCC1(F)F Z4874662548 [0,1,0,1,0,0|2,0,0]=4 450 B11R1.706 O=C(O)C1CCCCCCC1 Z792377154 [0,1,0,1,0,0|0,0,1]=3 451 B11R1.706 O=C(O)C1CCCCCCN1 Z1998612770 [0,1,0,1,0,0|1,0,1]=4 452 B11R1.742 CC(C)CC1CCCCCN1 Z992736924 [0,1,0,1,0,0|1,0,0]=3 453 B11R1.742 CC(C)CC1CCOCCN1 Z3675381813 [0,1,0,1,0,0|2,0,0]=4 454 B11R1.742 CC(N)CN1CCCCCC1 Z271008798 [0,1,0,1,0,0|2,0,0]=4 455 B11R1.742 CC(O)CC1CCCCCN1 Z1332990062 [0,1,0,1,0,0|1,0,0]=3 456 B11R1.742 NC(=O)CC1CCCCCC1 Z1262638694 [0,1,0,1,0,0|0,0,2]=4 457 B11R1.742 O=C(O)CC1CCCCCC1 Z352783664 [0,1,0,1,0,0|0,0,1]=3 458 B11R1.742 O=C(O)CC1CCCNCC1 Z2830496103 [0,1,0,1,0,0|1,0,1]=4 459 B11R1.742 O=C(O)CN1CCCCCC1 Z1171978829 [0,1,0,1,0,0|1,0,1]=4 460 B11R1.5 O=C1CCCCCN1CCO Z425794504 [0,1,0,1,0,0|1,0,1]=4 461 B11R1.17 CC1CCCCC1OCC#N Z295206412 [0,1,0,1,0,0|1,0,1]=4 462 B11R1.17 CC1CCCCN1CCCO Z168932308 [0,1,0,1,0,0|0,0,0]=2 463 B11R1.17 CNCCC1CCCCN1C Z138106256 [0,1,0,1,0,0|2,0,0]=4 464 B11R1.17 O=C1CCCCN1CCCO Z425794956 [0,1,0,1,0,0|1,0,1]=4 465 B11R1.18 C#CCCN1CCCC1CO Z4459992419 [0,1,0,1,0,0|0,0,2]=4 466 B11R1.18 CCC1CCCC1NCC#N Z1912436131 [0,1,0,1,0,0|1,0,1]=4 467 B11R1.18 COCCN1CCCC1CN Z326202480 [0,1,0,1,0,0|2,0,0]=4 468 B11R1.18 COCCN1CCCC1CO Z905473454 [0,1,0,1,0,0|1,0,0]=3 469 B11R1.18 COCCN1CCC[C@H]1CO Z1130244341 [0,1,0,1,0,0|1,0,0]=3 470 B11R1.28 CCCCCC1CCCCN1 Z1082216934 [0,1,0,1,0,0|1,0,0]=3 471 B11R1.28 CCCCNC1CCCCC1 Z2218556189 [0,1,0,1,0,0|1,0,0]=3 472 B11R1.28 CCCCOC1CCNCC1 Z391852142 [0,1,0,1,0,0|2,0,0]=4 473 B11R1.28 CCCNCC1CCCCC1 Z57170999 [0,1,0,1,0,0|1,0,0]=3 474 B11R1.28 CCCNCC1CCCCO1 Z138447410 [0,1,0,1,0,0|0,0,0]=2 475 B11R1.28 CCOCCC1CCNCC1 Z367678088 [0,1,0,1,0,0|2,0,0]=4 476 B11R1.28 COCCNC1CCCCC1 Z90501874 [0,1,0,1,0,0|1,0,0]=3 477 B11R1.28 COCCNC1CCCSC1 Z1915308579 [0,1,0,1,0,0|2,0,0]=4 478 B11R1.28 COCCNC1CCOCC1 Z2311226133 [0,1,0,1,0,0|2,0,0]=4 479 B11R1.28 COCCNC1CCSCC1 Z1875110838 [0,1,0,1,0,0|2,0,0]=4 480 B11R1.28 COCCOC1CCCNC1 Z334959354 [0,1,0,1,0,0|2,0,0]=4 481 B11R1.28 N#CCCOC1CCCCC1 Z317037706 [0,1,0,1,0,0|1,0,1]=4 482 B11R1.28 NCCCCN1CCOCC1 Z285162580 [0,1,0,1,0,0|2,0,0]=4 483 B11R1.28 NCCCOC1CCCCO1 Z1198263393 [0,1,0,1,0,0|1,0,0]=3 484 B11R1.28 NCCCOC1CCOCC1 Z1259162050 [0,1,0,1,0,0|2,0,0]=4 485 B11R1.28 OCCCCC1CCNCC1 Z3234885301 [0,1,0,1,0,0|0,0,0]=2 486 B11R1.28 OCCCCN1CCNCC1 Z57708562 [0,1,0,1,0,0|1,0,0]=3 487 B11R1.28 OCCCNC1CCCCC1 Z3504619196 [0,1,0,1,0,0|0,0,0]=2 488 B11R1.28 OCCCOC1CCCCC1 Z362785378 [0,1,0,1,0,0|0,0,0]=2 489 B11R1.28 OCCCOC1CCNCC1 Z382707290 [0,1,0,1,0,0|1,0,0]=3 490 B11R1.28 OCCNCC1CCCCC1 Z90504645 [0,1,0,1,0,0|0,0,0]=2 491 B11R1.41 CCC1CCCCN1CC#N Z168890940 [0,1,0,1,0,0|1,0,1]=4 492 B11R1.41 CCCN1CCCCC1CN Z326178808 [0,1,0,1,0,0|1,0,0]=3 493 B11R1.41 CCN1CCNCC1COC Z4752127169 [0,1,0,1,0,0|2,0,0]=4 494 B11R1.41 NCC1CCCCN1CCO Z871859796 [0,1,0,1,0,0|1,0,0]=3 495 B11R1.109 COCC1CCCN1CCN Z1551460762 [0,1,0,1,0,0|2,0,0]=4 496 B11R1.203 CCCOC1CCCNCC1 Z1150304786 [0,1,0,1,0,0|2,0,0]=4 497 B11R1.203 COCCC1CCCCNC1 Z1682072349 [0,1,0,1,0,0|1,0,0]=3 498 B11R1.203 COCCN1CCCNCC1 Z285182352 [0,1,0,1,0,0|2,0,0]=4 499 B11R1.203 FCCCN1CCCCCC1 Z3899643792 [0,1,0,1,0,0|1,0,0]=3 500 B11R1.203 N#CCCN1CCCCCC1 Z53116003 [0,1,0,1,0,0|1,0,1]=4 501 B11R1.203 N#CCNC1CCCCCC1 Z267047340 [0,1,0,1,0,0|1,0,1]=4 502 B11R1.203 NCCCN1CCCOCC1 Z3272544430 [0,1,0,1,0,0|2,0,0]=4 503 B11R1.203 NCCOC1CCCCCC1 Z756084276 [0,1,0,1,0,0|1,0,0]=3 504 B11R1.203 OCCCN1CCCCCC1 Z3069017316 [0,1,0,1,0,0|0,0,0]=2 505 B11R1.203 OCCCN1CCCNCC1 Z3814522399 [0,1,0,1,0,0|1,0,0]=3 506 B11R1.203 OCCCN1CCCOCC1 Z1354854541 [0,1,0,1,0,0|1,0,0]=3 507 B11R1.203 OCCNC1CCCCCC1 Z1862093141 [0,1,0,1,0,0|0,0,0]=2 508 B11R1.1 CCCCC1CCC(CC1)N Z839028544 [0,1,0,1,0,0|1,0,0]=3 509 B11R1.1 CCCCN1CCC(CC1)N Z444349880 [0,1,0,1,0,0|2,0,0]=4 510 B11R1.1 CN1CCC(CC1)NCCO Z90504514 [0,1,0,1,0,0|2,0,0]=4 511 B11R1.1 NC1CCN(CC1)CCCF Z5809567845 [0,1,0,1,0,0|2,0,0]=4 512 B11R1.1 NCCCN1CCC(CC1)O Z271005872 [0,1,0,1,0,0|2,0,0]=4 513 B11R1.25 COC(=O)CCC1CCCO1 Z380302304 [0,1,0,1,0,0|1,0,1]=4 514 B11R1.40 CC(C=O)CC1CCCCC1 Z1238838137 [0,1,0,1,0,0|0,0,2]=4 515 B11R1.40 CC(CO)CC1CCCCC1 Z1238840407 [0,1,0,1,0,0|0,0,0]=2 516 B11R1.40 CC(CO)CC1CCNCC1 Z4511729558 [0,1,0,1,0,0|1,0,0]=3 517 B11R1.40 CC(CO)CC1CCOCC1 Z1238840447 [0,1,0,1,0,0|1,0,0]=3 518 B11R1.40 CC(CO)NC1CCSCC1 Z425808478 [0,1,0,1,0,0|2,0,0]=4 519 B11R1.40 CCC(=O)CC1CCCCC1 Z992965580 [0,1,0,1,0,0|1,0,1]=4 520 B11R1.40 NC(CO)CC1CCCCC1 Z1201620851 [0,1,0,1,0,0|0,0,0]=2 521 B11R1.40 NC(CO)CC1CCCCO1 Z4777204053 [0,1,0,1,0,0|1,0,0]=3 522 B11R1.40 NC(CO)CN1CCOCC1 Z1993522685 [0,1,0,1,0,0|2,0,0]=4 523 B11R1.40 NCC(=O)CC1CCCCC1 Z2756265233 [0,1,0,1,0,0|1,0,1]=4 524 B11R1.40 NCC(O)CC1CCCCC1 Z5195335934 [0,1,0,1,0,0|1,0,0]=3 525 B11R1.40 NCC(O)CN1CCCCC1 Z234896811 [0,1,0,1,0,0|2,0,0]=4 526 B11R1.40 O=C(CCl)CC1CCCCC1 Z1255500367 [0,1,0,1,0,0|1,0,1]=4 527 B11R1.40 OC[C@@H](O)CN1CCSCC1 Z2945860299 [0,1,0,1,0,0|2,0,0]=4 528 B11R1.222 CC1CCCCC1C(=O)CN Z3689422140 [0,1,0,1,0,0|1,0,1]=4 529 B11R1.222 CCS(=O)C1CCCCC1N Z1238786833 [0,1,0,1,0,0|2,0,0]=4 530 B11R1.228 CC1CCCN1C[C@H](O)CO Z2947223707 [0,1,0,1,0,0|1,0,0]=3 531 B11R1.410 NC1(CCCCCCC1)CO Z2738576692 [0,1,0,1,0,0|0,0,0]=2 532 B11R1.410 NCC1(CCCCCCC1)O Z4403452657 [0,1,0,1,0,0|1,0,0]=3 533 B11R1.852 CC(CN)N1CCCCCC1 Z228568778 [0,1,0,1,0,0|2,0,0]=4 534 B11R1.852 O=C(CCl)C1CCCCCC1 Z1238572144 [0,1,0,1,0,0|1,0,1]=4 535 B11R1.852 O=C(CO)N1CCCCCC1 Z228585382 [0,1,0,1,0,0|1,0,1]=4 536 B11R1.37 CCN1CC[C@H](C[C@H]1CN)C Z2491441332 [0,1,0,1,0,0|2,0,0]=4 537 B11R1.182 CC1CN(C(CN1)C)CCO Z1251344001 [0,1,0,1,0,0|2,0,0]=4 538 B11R1.605 CC1CCCC(N1CCN)C Z271005918 [0,1,0,1,0,0|2,0,0]=4 539 B11R1.756 CC1(OCCO1)CCCCN Z1262641001 [0,1,0,1,0,0|2,0,0]=4 540 B11R1.756 CCOCCC1(CCCC1)N Z1696091852 [0,1,0,1,0,0|2,0,0]=4 541 B11R2.10 CC1CC2CCCCC2N1 Z1171508994 [0,0,0,2,0,0|1,0,0]=3 542 B11R2.10 N[C@@H]1C[C@@H]2CCCC[C@@H]2C1 Z3211867630 [0,0,0,2,0,0|1,0,0]=3 543 B11R2.10 O[C@@H]1C[C@@H]2NCCO[C@@H]2C1 Z4595296539 [0,0,0,2,0,0|2,0,0]=4 544 B11R2.20 C1CC2CCNCC2CN1 Z4098095770 [0,0,0,2,0,0|2,0,0]=4 545 B11R2.20 C1CC2CCOCC2CN1 Z1201627738 [0,0,0,2,0,0|1,0,0]=3 546 B11R2.20 C1CCC2CCCCC2C1 Z104474658 [0,0,0,2,0,0|1,0,0]=3 547 B11R2.20 C1CCC2CNCCC2C1 Z3492354682 [0,0,0,2,0,0|1,0,0]=3 548 B11R2.20 C1CCC2NCCNC2C1 Z1184886650 [0,0,0,2,0,0|2,0,0]=4 549 B11R2.20 C1CCC2OCCNC2C1 Z397586840 [0,0,0,2,0,0|1,0,0]=3 550 B11R2.20 C1CCC2SCCNC2C1 Z1218937242 [0,0,0,2,0,0|1,1,0]=4 551 B11R2.20 C1CCN2CCNCC2C1 Z425387750 [0,0,0,2,0,0|2,0,0]=4 552 B11R2.20 C1CC[C@H]2NCCC[C@H]2C1 Z1203731004 [0,0,0,2,0,0|1,0,0]=3 553 B11R2.20 C1CNC2CCOCC2C1 Z1526503431 [0,0,0,2,0,0|1,0,0]=3 554 B11R2.20 C1CN[C@@H]2COCC[C@@H]2N1 Z5001896030 [0,0,0,2,0,0|2,0,0]=4 555 B11R2.20 C1COC2CCNCC2C1 Z1203749248 [0,0,0,2,0,0|1,0,0]=3 556 B11R2.20 C1CSC2CCNCC2C1 Z4606693102 [0,0,0,2,0,0|1,1,0]=4 557 B11R2.20 C1CSC2COCCC2N1 Z1218937154 [0,0,0,2,0,0|2,0,0]=4 558 B11R2.20 C1C[C@@H]2OCCO[C@H]2CN1 Z3031275796 [0,0,0,2,0,0|2,0,0]=4 559 B11R2.47 NC1CC2CCC1CC2O Z4958656174 [0,0,0,2,0,0|1,0,0]=3 560 B11R2.55 O=C1CCCCC1C2CC2 Z1233201574 [0,0,0,2,0,0|0,0,2]=4 561 B11R2.106 NC1CCCC2C1CCO2 Z1413805519 [0,0,0,2,0,0|1,0,0]=3 562 B11R2.120 CN1[C@H]2CCC[C@@H]1[C@H](C2)O Z5630804350 [0,0,0,2,0,0|1,0,0]=3 563 B11R2.248 COC[C@@H]1C[C@H]2CC[C@@H]1N2 Z3334323084 [0,0,0,2,0,0|2,0,0]=4 564 B11R2.248 N#CCC1CC2CCC1C2 Z1079178860 [0,0,0,2,0,0|1,0,1]=4 565 B11R2.248 NCCC1CC2CCC1C2 Z432067000 [0,0,0,2,0,0|1,0,0]=3 566 B11R2.248 NCCC1CC2CCC1O2 Z1416162508 [0,0,0,2,0,0|1,0,0]=3 567 B11R2.357 OC1CCC2CCNC1C2 Z2238768422 [0,0,0,2,0,0|1,0,0]=3 568 B11R2.357 O[C@@H]1CC[C@H]2CCN[C@H]1C2 Z3063687175 [0,0,0,2,0,0|1,0,0]=3 569 B11R2.370 CC1CCNCC12CCC2 Z1567776900 [0,0,0,2,0,0|2,0,0]=4 570 B11R2.370 NC1CCCOC12CCC2 Z3485773211 [0,0,0,2,0,0|2,0,0]=4 571 B11R2.370 OC1CCCNC12CCC2 Z5098611655 [0,0,0,2,0,0|1,0,0]=3 572 B11R2.370 OC1CCNCC12CCC2 Z1416162509 [0,0,0,2,0,0|1,0,0]=3 573 B11R2.402 NC12CCCCC1OCC2 Z3026086249 [0,0,0,2,0,0|2,0,0]=4 574 B11R2.565 O=C1C2CCCC1CCC2 Z1259338820 [0,0,0,2,0,0|0,0,2]=4 575 B11R2.565 OC1[C@H]2CNC[C@@H]1COC2 Z1203830597 [0,0,0,2,0,0|2,0,0]=4 576 B11R2.641 NCCC1CCCC2C1C2 Z4076162898 [0,0,0,2,0,0|1,0,0]=3 577 B11R2.18 C1CC2CCNCCC2C1 Z4351247729 [0,0,0,2,0,0|1,0,0]=3 578 B11R2.18 C1CNCC2CCCN2C1 Z916962720 [0,0,0,2,0,0|2,0,0]=4 579 B11R2.18 C1CNC[C@H]2CCO[C@H]2C1 Z3070823167 [0,0,0,2,0,0|1,0,0]=3 580 B11R2.36 CC1CN2CCCC2CN1 Z1188338627 [0,0,0,2,0,0|2,0,0]=4 581 B11R2.36 NC1CCC2CCCC2C1 Z1259341392 [0,0,0,2,0,0|1,0,0]=3 582 B11R2.36 OC1CCC2CNCC2C1 Z2327226166 [0,0,0,2,0,0|1,0,0]=3 583 B11R2.143 O=CCC1CCCC12CC2 Z4694160744 [0,0,0,2,0,0|0,0,2]=4 584 B11R2.162 NC[C@@H]1C[C@H]2C[C@@H]1C[C@H]2O Z3713600798 [0,0,0,2,0,0|1,0,0]=3 585 B11R2.191 OC[C@@H]1CO[C@H]2[C@@H]1CNC2 Z3900255270 [0,0,0,2,0,0|2,0,0]=4 586 B11R2.216 NCC1CCCC1C2CC2 Z2301415771 [0,0,0,2,0,0|1,0,0]=3 587 B11R2.216 OC[C@@H]1CNC[C@H]1C2CC2 Z3179024787 [0,0,0,2,0,0|1,0,0]=3 588 B11R2.226 N[C@@H]1[C@H]([C@@H]2[C@H]1CCC2)CO Z3445138951 [0,0,0,2,0,0|1,0,0]=3 589 B11R2.282 NCC1CCCC12CCC2 Z3302271630 [0,0,0,2,0,0|1,0,0]=3 590 B11R2.282 OCC1CCNC12CCC2 Z4273567085 [0,0,0,2,0,0|1,0,0]=3 591 B11R2.282 OCC1CNCC12CCC2 Z3270797796 [0,0,0,2,0,0|1,0,0]=3 592 B11R2.1098 NCC12CCCN1CCC2 Z1945700433 [0,0,0,2,0,0|2,0,0]=4 593 B11R2.1098 NC[C@]12CCC[C@H]1CCO2 Z3267517630 [0,0,0,2,0,0|1,0,0]=3 594 B11R2.1098 NC[C@]12CCC[C@H]1OCC2 Z2894866401 [0,0,0,2,0,0|2,0,0]=4 595 B11R2.1098 OCC12CCCN1CCC2 Z1504677174 [0,0,0,2,0,0|1,0,0]=3 596 B11R2.1098 OCC12CNCC1CNC2 Z4576027551 [0,0,0,2,0,0|2,0,0]=4 597 B11R2.474 OC1CCCC2CCC1N2 Z3219595348 [0,0,0,2,0,0|1,0,0]=3 598 B11R2.17 NCC1CCC12CCCO2 Z3689421467 [0,0,0,2,0,0|1,0,0]=3 599 B11R2.1 CC1CNC2C1CCCC2 Z1202249435 [0,0,0,2,0,0|2,0,0]=4 600 B11R2.1 NC1COC2C1CCCC2 Z2313089042 [0,0,0,2,0,0|2,0,0]=4 601 B11R2.4 NC1CC1C2CCCCC2 Z1259273403 [0,0,0,2,0,0|1,0,0]=3 602 B11R2.4 N[C@@H]1C[C@H]1C2CCOCC2 Z2752200156 [0,0,0,2,0,0|2,0,0]=4 603 B11R2.13 NCC1CC12CCCCC2 Z3247610236 [0,0,0,2,0,0|1,0,0]=3 604 B11R2.13 NCC1CC12CCOCC2 Z2235810133 [0,0,0,2,0,0|2,0,0]=4 605 B11R2.13 O=CC1CC12CCCCC2 Z1511870834 [0,0,0,2,0,0|0,0,2]=4 606 B11R2.13 OCC1CC12CCOCC2 Z1395679784 [0,0,0,2,0,0|1,0,0]=3 607 B11R2.64 NC1CCC2CCC1OC2 Z2900673633 [0,0,0,2,0,0|2,0,0]=4 608 B11R2.164 NCC1CC2CCC1CC2 Z2380439346 [0,0,0,2,0,0|1,0,0]=3 609 B11R2.164 O=CC1CC2CCC1CC2 Z1511766105 [0,0,0,2,0,0|0,0,2]=4 610 B11R2.164 OCC1CN2CCC1CC2 Z274799154 [0,0,0,2,0,0|1,0,0]=3 611 B11R2.238 C1CC(CCN1)CC2CC2 Z4461309707 [0,0,0,2,0,0|2,0,0]=4 612 B11R2.238 C1CCC(CC1)NC2CC2 Z803145598 [0,0,0,2,0,0|2,0,0]=4 613 B11R2.238 C1CCC(OC1)CC2CO2 Z3271405517 [0,0,0,2,0,0|1,0,0]=3 614 B11R2.238 C1CN(CCO1)CC2CO2 Z90667558 [0,0,0,2,0,0|2,0,0]=4 615 B11R2.238 C1CN(CCS1)CC2CO2 Z352257936 [0,0,0,2,0,0|2,0,0]=4 616 B11R2.238 C1COC(CN1)CC2CC2 Z2310678581 [0,0,0,2,0,0|1,0,0]=3 617 B11R2.239 C1CC(C1)C2CNCCN2 Z3305265077 [0,0,0,2,0,0|2,0,0]=4 618 B11R2.239 C1CC(C1)C2CNCCO2 Z1407119740 [0,0,0,2,0,0|1,0,0]=3 619 B11R2.239 C1CC(C1)C2CSCCN2 Z2327393511 [0,0,0,2,0,0|2,0,0]=4 620 B11R2.239 C1CC(N1)C2CCOCC2 Z3003073313 [0,0,0,2,0,0|2,0,0]=4 621 B11R2.239 C1CCC(CC1)C2CNC2 Z2216711539 [0,0,0,2,0,0|2,0,0]=4 622 B11R2.1037 C1CC2CCNCC(C1)C2 Z3379439950 [0,0,0,2,0,0|2,0,0]=4 623 B11R2.1037 C1CCN2CCNC(C1)C2 Z3268388583 [0,0,0,2,0,0|2,0,0]=4 624 B11R2.1261 C1CC2(CCN1)OCCO2 Z316909632 [0,0,0,2,0,0|2,0,0]=4 625 B11R2.1261 C1CCC2(C1)CCCNC2 Z1201622130 [0,0,0,2,0,0|2,0,0]=4 626 B11R2.1261 C1CCC2(C1)CCNCC2 Z1095369037 [0,0,0,2,0,0|2,0,0]=4 627 B11R2.1261 C1CCC2(C1)CNCCO2 Z959274730 [0,0,0,2,0,0|1,0,0]=3 628 B11R2.1261 C1CCC2(C1)COCCN2 Z992375234 [0,0,0,2,0,0|2,0,0]=4 629 B11R2.1261 C1CCC2(CC1)CCCN2 Z1526503348 [0,0,0,2,0,0|1,0,0]=3 630 B11R2.1261 C1CCC2(CC1)CCNC2 Z979421238 [0,0,0,2,0,0|2,0,0]=4 631 B11R2.1261 C1CCC2(CC1)NCCS2 Z2017679672 [0,0,0,2,0,0|1,1,0]=4 632 B11R2.1261 C1CCC2(CCOC2)NC1 Z2732544477 [0,0,0,2,0,0|2,0,0]=4 633 B11R2.1261 C1CNC2(C1)CCCSC2 Z2831439405 [0,0,0,2,0,0|2,0,0]=4 634 B11R2.1261 C1CNC2(C1)CCOCC2 Z1614605219 [0,0,0,2,0,0|2,0,0]=4 635 B11R2.1261 C1CNCC2(C1)OCCO2 Z1203733837 [0,0,0,2,0,0|2,0,0]=4 636 B11R2.1261 C1COC2(C1)CCNCC2 Z1741975010 [0,0,0,2,0,0|1,0,0]=3 637 B11R2.1261 C1COC2(CCNC2)CN1 Z5197784459 [0,0,0,2,0,0|2,0,0]=4 638 B11R2.1261 C1COC2(CCNC2)OC1 Z5377070597 [0,0,0,2,0,0|2,0,0]=4 639 B11R2.1261 C1COC2(CCOC2)CN1 Z1216819489 [0,0,0,2,0,0|2,0,0]=4 640 B11R2.266 NCC1CCC2CC1CO2 Z2903623101 [0,0,0,2,0,0|1,0,0]=3 641 B11R2.266 O=C[C@@H]1CC[C@H]2C[C@@H]1CO2 Z3024996692 [0,0,0,2,0,0|1,0,1]=4 642 B11R2.711 N[C@@H]1C[C@H]2[C@@H]1CCCCC2 Z3616240777 [0,0,0,2,0,0|1,0,0]=3 643 B11R2.2 C1CCC(C1)C2CCCN2 Z744754698 [0,0,0,2,0,0|1,0,0]=3 644 B11R2.2 C1CNC(C1)C2CCCO2 Z281773892 [0,0,0,2,0,0|1,0,0]=3 645 B11R2.2 C1CNC(C1)C2CCOC2 Z5796845831 [0,0,0,2,0,0|2,0,0]=4 646 B11R2.3 N[C@@H]1CCC[C@]12CCCO2 Z2760980004 [0,0,0,2,0,0|1,0,0]=3 647 B11R2.3 OC1CCCC12CCCC2 Z1896300084 [0,0,0,2,0,0|0,0,0]=2 648 B11R2.32 NCC1CC1C2CCCC2 Z3035016249 [0,0,0,2,0,0|1,0,0]=3 649 B11R2.237 C1CC(C1)CC2CCNC2 Z2310672788 [0,0,0,2,0,0|2,0,0]=4 650 B11R2.15 NCC1CC2CCCC2C1 Z4133940794 [0,0,0,2,0,0|1,0,0]=3 651 B11R2.15 NCC1CC2CCCC2O1 Z2756214370 [0,0,0,2,0,0|1,0,0]=3 652 B11R2.15 OC[C@@H]1C[C@@H]2OCC[C@@H]2N1 Z3033608716 [0,0,0,2,0,0|2,0,0]=4 653 B11R2.115 O[C@@H]1CCC[C@H]1NC2CC2 Z1796000607 [0,0,0,2,0,0|1,0,0]=3 654 B11R2.459 O[C@@H]1CNC[C@H]1C2CCC2 Z5188484889 [0,0,0,2,0,0|1,0,0]=3 655 B11R2.1242 C1CC2(C1)CCNCCO2 Z3071068783 [0,0,0,2,0,0|1,0,0]=3 656 B11R2.1242 C1CC2(C1)CCNCCS2 Z2299686620 [0,0,0,2,0,0|1,1,0]=4 657 B11R2.1242 C1CC2(C1)CCOCCN2 Z3490787801 [0,0,0,2,0,0|2,0,0]=4 658 B11R2.1242 C1CCC2(CCC2)CNC1 Z2310679083 [0,0,0,2,0,0|2,0,0]=4 659 B11R2.1036 C1CNC(CSC1)C2CC2 Z2920551176 [0,0,0,2,0,0|2,0,0]=4 660 B11R2.1036 C1CNCCC(C1)C2CC2 Z5044301747 [0,0,0,2,0,0|2,0,0]=4 661 B11R2.1036 C1COC(CCN1)C2CC2 Z2941263280 [0,0,0,2,0,0|1,0,0]=3 662 B11R2.1036 C1COCCC(N1)C2CC2 Z3485892235 [0,0,0,2,0,0|2,0,0]=4 663 B11R2.1387 O=CC1C2C1CCCCC2 Z1511825784 [0,0,0,2,0,0|0,0,2]=4 664 B11R2.1034 C(CC1CC1)NCC2CC2 Z2575036804 [0,0,0,2,0,0|2,0,0]=4