0 B9R0.45 CCCCCCCCCO Z104476100 [0,0,0,0,0,0|0,0,2]=2 1 B9R0.45 CCCCCCCNC=O Z1203732044 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.45 CCCCCCNCCO Z137800948 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.45 CCCCOCCCCO Z993012624 [0,0,0,0,0,0|1,0,2]=3 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|3,0,1]=4 7 B9R0.45 NCCCCCCCCN Z1203577927 [0,0,0,0,0,0|2,0,1]=3 8 B9R0.45 NCCCCCCCCO Z4745386600 [0,0,0,0,0,0|1,0,2]=3 9 B9R0.45 OCCCCCOCCO Z1897250794 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.4 C#CCCCCCCN Z3847490647 [1,0,0,0,0,0|1,0,2]=4 11 B8R0.4 C#CCCCCCCO Z1198157198 [1,0,0,0,0,0|0,0,3]=4 12 B8R0.4 C=CCCCCCCN Z1198263320 [1,0,0,0,0,0|1,0,1]=3 13 B8R0.4 CCCCCCCCO Z104473500 [1,0,0,0,0,0|0,0,1]=2 14 B8R0.4 CCCCCNCCO Z137800944 [1,0,0,0,0,0|1,0,1]=3 15 B8R0.4 CCCCNCCCC Z102766286 [1,0,0,0,0,0|1,0,1]=3 16 B8R0.4 CCCCNCCCO Z102766210 [1,0,0,0,0,0|1,0,1]=3 17 B8R0.4 CCNCCOCCN Z1323539868 [1,0,0,0,0,0|3,0,0]=4 18 B8R0.4 CCOCCOCCN Z2900987685 [1,0,0,0,0,0|3,0,0]=4 19 B8R0.4 COCCCNCCO Z382722010 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.4 COCCNCCCN Z970105370 [1,0,0,0,0,0|3,0,0]=4 21 B8R0.4 COCCOCCCO Z1080358808 [1,0,0,0,0,0|2,0,1]=4 22 B8R0.4 NCCCCCCCN Z275166586 [1,0,0,0,0,0|2,0,0]=3 23 B8R0.4 NCCCCCCCO Z3016956569 [1,0,0,0,0,0|1,0,1]=3 24 B8R0.4 NCCCNCCCN Z1203577926 [1,0,0,0,0,0|3,0,0]=4 25 B8R0.4 OCCCNCCCO Z104684334 [1,0,0,0,0,0|2,0,1]=4 26 B10R0.1 CCCCCNC(C)CCC Z138670752 [0,1,0,0,0,0|2,0,1]=4 27 B10R0.4 C#CCCCCCCC(=O)O Z1255435221 [0,1,0,0,0,0|0,0,2]=3 28 B10R0.4 CC(=O)OCCCCCCN Z5197785028 [0,1,0,0,0,0|2,0,0]=3 29 B10R0.4 CCCCCCCCC(=O)N Z296759818 [0,1,0,0,0,0|0,0,0]=1 30 B10R0.4 CCCCCCCCC(=O)O Z104473336 [0,1,0,0,0,0|0,0,0]=1 31 B10R0.4 CCCCCCCCS(=O)C Z1198155780 [0,1,0,0,0,0|1,0,0]=2 32 B10R0.4 CCCCCCOCC(=O)O Z362795556 [0,1,0,0,0,0|1,0,0]=2 33 B10R0.4 CCOCCCCCC(=O)O Z1219750577 [0,1,0,0,0,0|1,0,0]=2 34 B10R0.4 COCCCOCCC(=O)O Z608071756 [0,1,0,0,0,0|2,0,0]=3 35 B10R0.4 COCCOCCCC(=O)O Z316259206 [0,1,0,0,0,0|2,0,0]=3 36 B10R0.4 CSCCCCCCC(=O)O Z1262519805 [0,1,0,0,0,0|1,0,0]=2 37 B10R0.4 N=C(N)NCCCCCCN Z1837073394 [0,1,0,0,0,0|3,0,0]=4 38 B10R0.4 NCCCCCCCC(=O)O Z1201625777 [0,1,0,0,0,0|1,0,0]=2 39 B10R0.71 C=CCCCCCCCCN Z2083000288 [0,1,0,0,0,0|1,0,0]=2 40 B10R0.71 CCCCCCCCCC=O Z104477054 [0,1,0,0,0,0|0,0,0]=1 41 B10R0.71 CCCCCCCCCCN Z362810900 [0,1,0,0,0,0|1,0,1]=3 42 B10R0.71 CCCCCCCCCNC Z752371288 [0,1,0,0,0,0|1,0,1]=3 43 B10R0.71 CCCCCNCCCOC Z137847940 [0,1,0,0,0,0|2,0,0]=3 44 B10R0.71 CCCCOCCOCCN Z362798458 [0,1,0,0,0,0|2,0,1]=4 45 B10R0.71 CSCCCCCCN=C=S Z1198161073 [0,1,0,0,0,0|1,1,1]=4 46 B10R0.74 CCCCCCCC(C)CN Z415655116 [0,1,0,0,0,0|1,0,1]=3 47 B10R0.91 CCCCCN(C)CCC#N Z137832996 [0,1,0,0,0,0|2,0,1]=4 48 B10R0.91 CCCCNC(C)CCCC Z446072116 [0,1,0,0,0,0|2,0,1]=4 49 B10R1.4 C#CCC1CCCNC1=O Z1203747731 [0,0,0,1,0,0|1,0,2]=4 50 B10R1.4 C#CCN1CCCCC1=O Z804946048 [0,0,0,1,0,0|1,0,2]=4 51 B10R1.4 CC1CCCCN1CC#N Z168932852 [0,0,0,1,0,0|2,0,1]=4 52 B10R1.4 CC1CCCCN1CCN Z271005826 [0,0,0,1,0,0|2,0,1]=4 53 B10R1.4 CCCC1CCCCC1O Z854050598 [0,0,0,1,0,0|0,0,2]=3 54 B10R1.4 CCCC1NCCCC1C Z1267773702 [0,0,0,1,0,0|2,0,1]=4 55 B10R1.4 CCCC1NCCNC1=O Z978935024 [0,0,0,1,0,0|2,0,0]=3 56 B10R1.4 CCNC1CCCCC1C Z2143574194 [0,0,0,1,0,0|2,0,1]=4 57 B10R1.4 CCSC1CCCCC1N Z1238713176 [0,0,0,1,0,0|2,0,1]=4 58 B10R1.4 CN1CCCCC1CCO Z139565496 [0,0,0,1,0,0|1,0,2]=4 59 B10R1.4 NCCN1CCCOC1=O Z3244908592 [0,0,0,1,0,0|3,0,0]=4 60 B10R1.4 NCCN1CCOCC1=O Z2235820587 [0,0,0,1,0,0|3,0,0]=4 61 B10R1.4 NCC[C@@H]1CCCC[C@@H]1O Z2915288574 [0,0,0,1,0,0|1,0,2]=4 62 B10R1.4 NCC[C@@H]1CCCC[C@H]1O Z3993260243 [0,0,0,1,0,0|1,0,2]=4 63 B10R1.4 O=C1CCCCN1CCO Z425794954 [0,0,0,1,0,0|2,0,0]=3 64 B10R1.4 O=C1COCCN1CCO Z1323533212 [0,0,0,1,0,0|3,0,0]=4 65 B10R1.4 O=C1NCCCC1CCO Z1203749596 [0,0,0,1,0,0|2,0,0]=3 66 B10R1.4 O=C1NCCCN1CCO Z1203733014 [0,0,0,1,0,0|3,0,0]=4 67 B10R1.4 O=C1NCCNC1CCO Z336080888 [0,0,0,1,0,0|3,0,0]=4 68 B10R1.5 CCN1CCCC1CNC Z139573692 [0,0,0,1,0,0|3,0,0]=4 69 B10R1.17 C#CCCN1CCCCC1 Z840363374 [0,0,0,1,0,0|2,0,1]=4 70 B10R1.17 C#CCNC1CCCCC1 Z910843080 [0,0,0,1,0,0|2,0,1]=4 71 B10R1.17 C=CCCC1CCCNC1 Z4456666883 [0,0,0,1,0,0|2,0,0]=3 72 B10R1.17 C=CCCN1CCNCC1 Z1203747104 [0,0,0,1,0,0|3,0,0]=4 73 B10R1.17 C=CCOC1CCNCC1 Z391852222 [0,0,0,1,0,0|3,0,0]=4 74 B10R1.17 CCCNC1CCCCC1 Z57396800 [0,0,0,1,0,0|2,0,1]=4 75 B10R1.17 CCCOC1CCCNC1 Z334959364 [0,0,0,1,0,0|3,0,0]=4 76 B10R1.17 CCOCC1CCCCN1 Z2261981710 [0,0,0,1,0,0|2,0,1]=4 77 B10R1.17 CCOCC1CCCNC1 Z1267881664 [0,0,0,1,0,0|3,0,0]=4 78 B10R1.17 CNCCC1CCNCC1 Z2686452655 [0,0,0,1,0,0|3,0,0]=4 79 B10R1.17 CNCCC1CCOCC1 Z992744046 [0,0,0,1,0,0|3,0,0]=4 80 B10R1.17 FCCCC1CCNCC1 Z3485638961 [0,0,0,1,0,0|2,0,1]=4 81 B10R1.17 N#CCCC1CCCCC1 Z382691354 [0,0,0,1,0,0|1,0,1]=3 82 B10R1.17 N#CCCC1CCCCO1 Z1182488755 [0,0,0,1,0,0|2,0,1]=4 83 B10R1.17 N#CCCC1CCNCC1 Z2379802701 [0,0,0,1,0,0|2,0,1]=4 84 B10R1.17 N#CCCC1CCOCC1 Z979766266 [0,0,0,1,0,0|2,0,1]=4 85 B10R1.17 N#CCCN1CCCCC1 Z53115952 [0,0,0,1,0,0|2,0,1]=4 86 B10R1.17 NCCCC1CCCCC1 Z234895793 [0,0,0,1,0,0|1,0,1]=3 87 B10R1.17 NCCCC1CCCCO1 Z1182485873 [0,0,0,1,0,0|1,0,2]=4 88 B10R1.17 NCCCC1CCOCC1 Z979765666 [0,0,0,1,0,0|2,0,1]=4 89 B10R1.17 NCCCN1CCCCC1 Z2895178979 [0,0,0,1,0,0|2,0,1]=4 90 B10R1.17 NCCNC1CCCCC1 Z4766278182 [0,0,0,1,0,0|2,0,1]=4 91 B10R1.17 O=CCCC1CC=CCC1 Z1511746907 [0,0,0,1,0,0|0,0,2]=3 92 B10R1.17 O=CCCC1CCCCC1 Z57921395 [0,0,0,1,0,0|0,0,0]=1 93 B10R1.17 O=CCCC1CCOCC1 Z993017668 [0,0,0,1,0,0|1,0,0]=2 94 B10R1.17 OCCCC1CCCCC1 Z87002514 [0,0,0,1,0,0|0,0,2]=3 95 B10R1.17 OCCCC1CCCCO1 Z1182486786 [0,0,0,1,0,0|1,0,2]=4 96 B10R1.17 OCCCC1CCNCC1 Z3234916305 [0,0,0,1,0,0|1,0,2]=4 97 B10R1.17 OCCCC1CCOCC1 Z993012578 [0,0,0,1,0,0|1,0,2]=4 98 B10R1.17 OCCCN1CCCCC1 Z169222610 [0,0,0,1,0,0|1,0,2]=4 99 B10R1.17 OCCNC1CCCCC1 Z90504557 [0,0,0,1,0,0|1,0,2]=4 100 B10R1.17 OCCOC1CCCCC1 Z362785382 [0,0,0,1,0,0|1,0,2]=4 101 B10R1.19 CNC1CCCCNC1=O Z234896383 [0,0,0,1,0,0|2,0,0]=3 102 B10R1.19 COC1CCCCCC1N Z1357823917 [0,0,0,1,0,0|2,0,1]=4 103 B10R1.19 NC1CCCCCC1CO Z1407007412 [0,0,0,1,0,0|1,0,2]=4 104 B10R1.19 O=C1CCCCCN1CO Z162882232 [0,0,0,1,0,0|2,0,0]=3 105 B10R1.19 O=C1NCCCCC1CO Z2756841892 [0,0,0,1,0,0|2,0,0]=3 106 B10R1.19 O=CC1CCCCCC1=O Z854045270 [0,0,0,1,0,0|1,0,1]=3 107 B10R1.20 CCC1CCCCC1C#N Z1162465704 [0,0,0,1,0,0|1,0,1]=3 108 B10R1.20 CCC1CCCCC1C=O Z1183459036 [0,0,0,1,0,0|0,0,0]=1 109 B10R1.20 CCC1CCCCC1CN Z2235386892 [0,0,0,1,0,0|1,0,1]=3 110 B10R1.20 CCC1CCCCC1NC Z813020678 [0,0,0,1,0,0|2,0,0]=3 111 B10R1.20 CCN1CCCCC1CN Z326178796 [0,0,0,1,0,0|2,0,1]=4 112 B10R1.20 CCN1CCCCC1CO Z137992830 [0,0,0,1,0,0|1,0,2]=4 113 B10R1.21 CCCCCC1CCCN1 Z1463349165 [0,0,0,1,0,0|1,0,1]=3 114 B10R1.21 CCCCNC1CCCC1 Z223658284 [0,0,0,1,0,0|2,0,1]=4 115 B10R1.21 CNCCCN1CCCC1 Z164136876 [0,0,0,1,0,0|3,0,0]=4 116 B10R1.21 COCCNC1CCCC1 Z969560760 [0,0,0,1,0,0|3,0,0]=4 117 B10R1.21 N#CCCOC1CCCC1 Z317037708 [0,0,0,1,0,0|2,0,1]=4 118 B10R1.21 NCCCCC1CCCC1 Z1203590193 [0,0,0,1,0,0|1,0,1]=3 119 B10R1.21 NCCCCN1CCCC1 Z285162574 [0,0,0,1,0,0|2,0,1]=4 120 B10R1.21 NCCOCC1CCCC1 Z976679450 [0,0,0,1,0,0|2,0,1]=4 121 B10R1.21 O=CCCOC1CCCC1 Z1080366666 [0,0,0,1,0,0|1,0,0]=2 122 B10R1.21 OCCCCN1CCCC1 Z425793748 [0,0,0,1,0,0|1,0,2]=4 123 B10R1.21 OCCCOC1CCCC1 Z362785376 [0,0,0,1,0,0|1,0,2]=4 124 B10R1.21 OCCOCC1CCCC1 Z1201627417 [0,0,0,1,0,0|1,0,2]=4 125 B10R1.29 CC1CCCC1NCCO Z1118527729 [0,0,0,1,0,0|1,0,2]=4 126 B10R1.29 CCCCC1CCCC1=O Z813018296 [0,0,0,1,0,0|0,0,0]=1 127 B10R1.29 CCOCC1CCCC1=O Z1333210851 [0,0,0,1,0,0|1,0,0]=2 128 B10R1.29 CNCCN1CCOC1=O Z1436181417 [0,0,0,1,0,0|3,0,0]=4 129 B10R1.29 CSCCN1CCOC1=O Z1526456203 [0,0,0,1,0,0|3,0,0]=4 130 B10R1.29 NCCCC1CCOC1=O Z2752915920 [0,0,0,1,0,0|2,0,0]=3 131 B10R1.29 NCCCN1CCCC1=O Z104473856 [0,0,0,1,0,0|2,0,0]=3 132 B10R1.29 NCCCN1CCNC1=O Z3235016560 [0,0,0,1,0,0|3,0,0]=4 133 B10R1.29 NCCCN1CCOC1=O Z323040308 [0,0,0,1,0,0|3,0,0]=4 134 B10R1.29 O=C1OCCN1CCCBr Z381035662 [0,0,0,1,0,0|3,0,0]=4 135 B10R1.57 CCCCCOC1CNC1 Z1318513965 [0,0,0,1,0,0|3,0,0]=4 136 B10R1.57 N#CCCNCC1CCC1 Z401657342 [0,0,0,1,0,0|2,0,1]=4 137 B10R1.78 NC1CCCCCCCC1 Z3491522566 [0,0,0,1,0,0|1,0,1]=3 138 B10R1.78 O=C1CCCCCCCC1 Z1255382938 [0,0,0,1,0,0|0,0,0]=1 139 B10R1.78 O=C1CCCCCCCN1 Z1203730756 [0,0,0,1,0,0|1,0,0]=2 140 B10R1.85 C#CCN1CCCCCC1 Z103702314 [0,0,0,1,0,0|2,0,1]=4 141 B10R1.85 C=CCN1CCCNCC1 Z3271028100 [0,0,0,1,0,0|3,0,0]=4 142 B10R1.85 CCCC1CCCNCC1 Z425362308 [0,0,0,1,0,0|2,0,1]=4 143 B10R1.85 N#CCN1CCCCCC1 Z168829180 [0,0,0,1,0,0|2,0,1]=4 144 B10R1.85 NCCN1CCCCCC1 Z228588982 [0,0,0,1,0,0|2,0,1]=4 145 B10R1.85 O=CCC1CCCCCC1 Z1268611681 [0,0,0,1,0,0|0,0,0]=1 146 B10R1.85 OCCC1CCCCCC1 Z1198264962 [0,0,0,1,0,0|0,0,2]=3 147 B10R1.85 OCCN1CCCCCC1 Z197266168 [0,0,0,1,0,0|1,0,2]=4 148 B10R1.161 CCC1CCCCCCN1 Z5401717016 [0,0,0,1,0,0|1,0,1]=3 149 B10R1.161 CNC1CCCCCCC1 Z102766896 [0,0,0,1,0,0|2,0,0]=3 150 B10R1.161 N#CC1CCCCCCC1 Z415654854 [0,0,0,1,0,0|1,0,1]=3 151 B10R1.161 NCC1CCCCCCC1 Z1259155971 [0,0,0,1,0,0|1,0,1]=3 152 B10R1.161 O=CC1=CCCCCCC1 Z2568727644 [0,0,0,1,0,0|0,0,2]=3 153 B10R1.161 O=CC1CCCCCCC1 Z1162184415 [0,0,0,1,0,0|0,0,0]=1 154 B10R1.177 CCCCCOCC1CO1 Z409358140 [0,0,0,1,0,0|1,0,2]=4 155 B7R0.1 CCCCCCCO Z104473596 [2,0,0,0,0,0|0,0,1]=3 156 B7R0.1 CCCCCCNC Z5419328797 [2,0,0,0,0,0|1,0,0]=3 157 B7R0.1 CCCCOCCN Z409191398 [2,0,0,0,0,0|2,0,0]=4 158 B7R0.1 CCCOCCCO Z1080358966 [2,0,0,0,0,0|1,0,1]=4 159 B7R0.1 CCNCCOCC Z138138014 [2,0,0,0,0,0|2,0,0]=4 160 B7R0.1 CCOCCCCO Z993012560 [2,0,0,0,0,0|1,0,1]=4 161 B7R0.1 CNCCCCCN Z4097840720 [2,0,0,0,0,0|2,0,0]=4 162 B7R0.1 CNCCCCOC Z875082126 [2,0,0,0,0,0|2,0,0]=4 163 B7R0.1 COCCCCCN Z608347192 [2,0,0,0,0,0|2,0,0]=4 164 B7R0.1 COCCCCCO Z993012416 [2,0,0,0,0,0|1,0,1]=4 165 B7R0.1 CSCCCCCN Z823285026 [2,0,0,0,0,0|2,0,0]=4 166 B7R0.1 CSCCCCCO Z968557058 [2,0,0,0,0,0|1,0,1]=4 167 B7R0.1 CSCCCCSC Z1198148193 [2,0,0,0,0,0|2,0,0]=4 168 B7R0.1 NCCCCCCN Z104473514 [2,0,0,0,0,0|2,0,0]=4 169 B7R0.1 OCCCCCCBr Z1255398867 [2,0,0,0,0,0|1,0,1]=4 170 B7R0.1 OCCCCCCO Z104473540 [2,0,0,0,0,0|1,0,1]=4 171 B9R0.2 C#CCCCCCC(=O)O Z1205493707 [1,1,0,0,0,0|0,0,2]=4 172 B9R0.2 CCCCCCCC(=O)O Z104495238 [1,1,0,0,0,0|0,0,0]=2 173 B9R0.2 CCCCCCNC(=S)N Z55992996 [1,1,0,0,0,0|1,1,0]=4 174 B9R0.2 CCCCCNCC(=O)N Z104536260 [1,1,0,0,0,0|1,0,0]=3 175 B9R0.2 CCCCCOCC(=O)O Z409357548 [1,1,0,0,0,0|1,0,0]=3 176 B9R0.2 CCCCSCCC(=O)O Z149304844 [1,1,0,0,0,0|1,0,0]=3 177 B9R0.2 CCNCCCCC(=O)O Z2893830564 [1,1,0,0,0,0|1,0,0]=3 178 B9R0.2 CCOCCCNC(=O)N Z56985786 [1,1,0,0,0,0|2,0,0]=4 179 B9R0.2 CCOCCOCC(=O)O Z316258972 [1,1,0,0,0,0|2,0,0]=4 180 B9R0.2 COCCNCCC(=O)O Z53116030 [1,1,0,0,0,0|2,0,0]=4 181 B9R0.2 COCCOCCC(=O)O Z316259200 [1,1,0,0,0,0|2,0,0]=4 182 B9R0.2 NCCCCCCC(=O)O Z56896351 [1,1,0,0,0,0|1,0,0]=3 183 B9R0.2 NCCOCCCC(=O)O Z5080450038 [1,1,0,0,0,0|2,0,0]=4 184 B9R0.2 O=C(O)CCNCCCO Z53116999 [1,1,0,0,0,0|2,0,0]=4 185 B9R0.5 CCCCCC(O)CCO Z1198158015 [1,1,0,0,0,0|0,0,1]=3 186 B9R0.18 CCCCC(N)CCCC Z5099120554 [1,1,0,0,0,0|0,0,1]=3 187 B9R0.46 CCCCCCC(C)CO Z1238840360 [1,1,0,0,0,0|0,0,1]=3 188 B9R0.46 CCCCCCC(C)NN Z1691545122 [1,1,0,0,0,0|2,0,0]=4 189 B9R0.46 CCCCCCC(C)OC Z1416182763 [1,1,0,0,0,0|1,0,1]=4 190 B9R0.46 CCCCCCC(N)CC Z5869944669 [1,1,0,0,0,0|0,0,1]=3 191 B11R0.2 CCCCCCC(C)CC(=O)O Z362824108 [0,2,0,0,0,0|0,0,0]=2 192 B11R0.2 CCCCCCN(C)CC(=O)O Z1259273334 [0,2,0,0,0,0|1,0,0]=3 193 B11R0.161 CCCCCCC(CC)CNC Z2582907771 [0,2,0,0,0,0|2,0,0]=4 194 B11R0.30 CC(=O)CCCCCCC(=O)C Z1198162235 [0,2,0,0,0,0|0,0,1]=3 195 B11R0.30 CC(=O)CCCCCCC(=O)O Z1262510893 [0,2,0,0,0,0|0,0,1]=3 196 B11R0.30 CC(=O)NCCCCCC(=O)N Z68591091 [0,2,0,0,0,0|1,0,1]=4 197 B11R0.30 CC(=O)NCCCCCC(=O)O Z56914861 [0,2,0,0,0,0|1,0,1]=4 198 B11R0.30 CC(C)CCNCCCC(=O)O Z1696091863 [0,2,0,0,0,0|1,0,0]=3 199 B11R0.30 O=C(O)CCCCCCC(=O)O Z104473456 [0,2,0,0,0,0|1,0,1]=4 200 B11R0.40 C=CC(=O)OCCCCCCO Z1862027236 [0,2,0,0,0,0|2,0,0]=4 201 B11R0.40 CCCCOCCNC(=O)CCl Z730584898 [0,2,0,0,0,0|2,0,0]=4 202 B11R0.40 COC(=O)CCCCCCCN Z1416203196 [0,2,0,0,0,0|1,0,0]=3 203 B11R0.42 C#CCCCCCC(N)C(=O)O Z4920921873 [0,2,0,0,0,0|0,0,2]=4 204 B11R0.42 CCOCCNCC(C)C(=O)O Z1270387257 [0,2,0,0,0,0|2,0,0]=4 205 B11R0.46 CCCCCN(C)CCC(=O)O Z1459932154 [0,2,0,0,0,0|1,0,0]=3 206 B11R0.111 CCC(N)COCCCC(=O)O Z5332674953 [0,2,0,0,0,0|1,0,0]=3 207 B11R0.147 CCCNC(=O)CCCC(=O)O Z90423792 [0,2,0,0,0,0|1,0,1]=4 208 B11R0.148 CCCCCCCCCC(=O)O Z104474944 [0,2,0,0,0,0|0,0,0]=2 209 B11R0.148 CCCCCCCCNC(=O)C Z1509141066 [0,2,0,0,0,0|0,0,0]=2 210 B11R0.148 CCCCCCCNCC(=O)O Z1259273296 [0,2,0,0,0,0|0,0,0]=2 211 B11R0.148 CNCCCNCCCC(=O)O Z1537009544 [0,2,0,0,0,0|1,0,0]=3 212 B11R0.3 CCCCCCCCCCC=O Z993017862 [0,2,0,0,0,0|0,0,0]=2 213 B11R0.3 CCCCCCCCCCNC Z102767086 [0,2,0,0,0,0|1,0,1]=4 214 B11R0.3 CCCCCCCCSCCO Z425753146 [0,2,0,0,0,0|0,0,2]=4 215 B11R0.3 CCCCCCCNCCCO Z139305228 [0,2,0,0,0,0|0,0,2]=4 216 B11R0.140 CCCCCN(C)CCCCC Z138914642 [0,2,0,0,0,0|1,0,1]=4 217 B9R1.5 CC1CCCCNC1=O Z1198181151 [1,0,0,1,0,0|1,0,0]=3 218 B9R1.5 CC1CCNCCS1=O Z1860991527 [1,0,0,1,0,0|2,0,0]=4 219 B9R1.5 CC1NCCCNC1=O Z1203829873 [1,0,0,1,0,0|2,0,0]=4 220 B9R1.5 CN1CCCNCC1=O Z1198179782 [1,0,0,1,0,0|2,0,0]=4 221 B9R1.5 NC1CCCCCC1=O Z2213893401 [1,0,0,1,0,0|1,0,0]=3 222 B9R1.5 NC1CCCCNC1=O Z281895050 [1,0,0,1,0,0|2,0,0]=4 223 B9R1.5 N[C@@H]1CCCCC[C@H]1O Z1198180675 [1,0,0,1,0,0|1,0,1]=4 224 B9R1.5 N[C@H]1CCCCC[C@H]1N Z2895202592 [1,0,0,1,0,0|2,0,0]=4 225 B9R1.5 O=C1CCCCCC1Cl Z223607164 [1,0,0,1,0,0|1,0,0]=3 226 B9R1.5 O=C1NCCCCC1Br Z220343714 [1,0,0,1,0,0|2,0,0]=4 227 B9R1.8 C=CCC1CCCCN1 Z3976272491 [1,0,0,1,0,0|1,0,1]=4 228 B9R1.8 CCCC1CCCCN1 Z1665033554 [1,0,0,1,0,0|1,0,0]=3 229 B9R1.8 CCCC1CCCNC1 Z1404660494 [1,0,0,1,0,0|1,0,1]=4 230 B9R1.8 CCCC1CCNCC1 Z963408928 [1,0,0,1,0,0|1,0,1]=4 231 B9R1.8 CCCC1CNCCN1 Z1203732978 [1,0,0,1,0,0|2,0,0]=4 232 B9R1.8 CCCC1CNCCO1 Z1203829779 [1,0,0,1,0,0|1,0,1]=4 233 B9R1.8 CCCC1COCCN1 Z4607148847 [1,0,0,1,0,0|2,0,0]=4 234 B9R1.8 CCNC1CCCCC1 Z235346963 [1,0,0,1,0,0|1,0,1]=4 235 B9R1.8 CNCC1CCCCC1 Z102767074 [1,0,0,1,0,0|1,0,1]=4 236 B9R1.8 COCC1CCCCN1 Z2238934630 [1,0,0,1,0,0|2,0,0]=4 237 B9R1.8 ClCCN1CCCCC1 Z235354563 [1,0,0,1,0,0|2,0,0]=4 238 B9R1.8 N#CCC1CCCCC1 Z295382924 [1,0,0,1,0,0|1,0,1]=4 239 B9R1.8 NCCC1CCCCC1 Z367451182 [1,0,0,1,0,0|1,0,0]=3 240 B9R1.8 NCCC1CCCCO1 Z432420620 [1,0,0,1,0,0|1,0,1]=4 241 B9R1.8 NCCC1CCNCC1 Z756921054 [1,0,0,1,0,0|2,0,0]=4 242 B9R1.8 NCCC1CCOCC1 Z851015130 [1,0,0,1,0,0|2,0,0]=4 243 B9R1.8 NCCC1CCSCC1 Z2768149804 [1,0,0,1,0,0|2,0,0]=4 244 B9R1.8 O=CC=C1CCCCC1 Z1251356876 [1,0,0,1,0,0|0,0,2]=4 245 B9R1.8 O=CCC1CCCCC1 Z993017728 [1,0,0,1,0,0|0,0,0]=2 246 B9R1.8 O=CCC1CCCCO1 Z1511748073 [1,0,0,1,0,0|1,0,0]=3 247 B9R1.8 O=CCC1CCCOC1 Z1198309923 [1,0,0,1,0,0|1,0,0]=3 248 B9R1.8 O=CCC1CCOCC1 Z1178491139 [1,0,0,1,0,0|1,0,0]=3 249 B9R1.8 OCCC1CCCCC1 Z397587116 [1,0,0,1,0,0|0,0,1]=3 250 B9R1.8 OCCC1CCCCO1 Z1198184633 [1,0,0,1,0,0|1,0,1]=4 251 B9R1.8 OCCC1CCCNC1 Z1263820461 [1,0,0,1,0,0|1,0,1]=4 252 B9R1.8 OCCC1CCCOC1 Z1198309922 [1,0,0,1,0,0|1,0,1]=4 253 B9R1.8 OCCC1CCNCC1 Z336087886 [1,0,0,1,0,0|1,0,1]=4 254 B9R1.8 OCCC1CCOCC1 Z1178491138 [1,0,0,1,0,0|1,0,1]=4 255 B9R1.8 OCCN1CCCCC1 Z104479032 [1,0,0,1,0,0|1,0,1]=4 256 B9R1.12 C=CCNC1CCCC1 Z607822410 [1,0,0,1,0,0|1,0,1]=4 257 B9R1.12 CCCCC1CCCN1 Z3244909133 [1,0,0,1,0,0|1,0,0]=3 258 B9R1.12 CCCNC1CCCC1 Z1076533152 [1,0,0,1,0,0|1,0,1]=4 259 B9R1.12 CCNCC1CCCO1 Z810541800 [1,0,0,1,0,0|1,0,1]=4 260 B9R1.12 CNCCC1CCCO1 Z1801307836 [1,0,0,1,0,0|1,0,1]=4 261 B9R1.12 NCCCC1CCCC1 Z744843730 [1,0,0,1,0,0|1,0,0]=3 262 B9R1.12 NCCCC1CCOC1 Z1198224817 [1,0,0,1,0,0|2,0,0]=4 263 B9R1.12 NCCNC1CCCC1 Z4158574763 [1,0,0,1,0,0|2,0,0]=4 264 B9R1.12 NCCOC1CCCC1 Z594038064 [1,0,0,1,0,0|2,0,0]=4 265 B9R1.12 NCCSC1CCCC1 Z1263714075 [1,0,0,1,0,0|2,0,0]=4 266 B9R1.12 O=CCCC1CCCC1 Z993017672 [1,0,0,1,0,0|0,0,0]=2 267 B9R1.12 O=CCCC1CCCO1 Z993017666 [1,0,0,1,0,0|1,0,0]=3 268 B9R1.12 O=CCCC1CCOC1 Z1198305626 [1,0,0,1,0,0|1,0,0]=3 269 B9R1.12 O=CCCC1OCCO1 Z1198155855 [1,0,0,1,0,0|2,0,0]=4 270 B9R1.12 OCCCC1CCCN1 Z979444798 [1,0,0,1,0,0|1,0,1]=4 271 B9R1.12 OCCCC1CCCO1 Z993012576 [1,0,0,1,0,0|1,0,1]=4 272 B9R1.12 OCCNC1CCCC1 Z1162448840 [1,0,0,1,0,0|1,0,1]=4 273 B9R1.12 OCCOC1CCCC1 Z362785380 [1,0,0,1,0,0|1,0,1]=4 274 B9R1.14 NC[C@@H]1CCC[C@H]1CF Z5489491630 [1,0,0,1,0,0|2,0,0]=4 275 B9R1.15 CC1CC=CCC1C=O Z1201621350 [1,0,0,1,0,0|0,0,2]=4 276 B9R1.15 CC1CCCCC1C#N Z415654838 [1,0,0,1,0,0|1,0,1]=4 277 B9R1.15 CC1CCCCC1C=O Z1268606365 [1,0,0,1,0,0|0,0,0]=2 278 B9R1.15 CC1CCCCC1CN Z415655074 [1,0,0,1,0,0|1,0,0]=3 279 B9R1.15 CC1COCCC1CN Z1255367314 [1,0,0,1,0,0|2,0,0]=4 280 B9R1.15 CCC1CCCCC1N Z368844574 [1,0,0,1,0,0|1,0,0]=3 281 B9R1.15 CCC1CCCCC1O Z104476198 [1,0,0,1,0,0|0,0,1]=3 282 B9R1.15 CCC1CCCNC1=O Z1203731521 [1,0,0,1,0,0|1,0,0]=3 283 B9R1.15 CCC1NCCNC1=O Z57663834 [1,0,0,1,0,0|2,0,0]=4 284 B9R1.15 CCN1CCCNC1=O Z1203733831 [1,0,0,1,0,0|2,0,0]=4 285 B9R1.15 CCN1CCNCC1=O Z975809904 [1,0,0,1,0,0|2,0,0]=4 286 B9R1.15 CNC1CCCCC1C Z324553050 [1,0,0,1,0,0|1,0,1]=4 287 B9R1.15 CNC1CCCNC1=O Z1795818556 [1,0,0,1,0,0|2,0,0]=4 288 B9R1.15 COC1CCCCC1N Z285187676 [1,0,0,1,0,0|2,0,0]=4 289 B9R1.15 COC1CCCCC1O Z425453594 [1,0,0,1,0,0|1,0,1]=4 290 B9R1.15 CO[C@@H]1CCCC[C@@H]1N Z4658510162 [1,0,0,1,0,0|2,0,0]=4 291 B9R1.15 CO[C@@H]1CCCC[C@H]1O Z3344357599 [1,0,0,1,0,0|1,0,1]=4 292 B9R1.15 CSC1CCCCC1=O Z732208578 [1,0,0,1,0,0|1,0,0]=3 293 B9R1.15 CS[C@H]1CCCC[C@@H]1N Z2182116696 [1,0,0,1,0,0|2,0,0]=4 294 B9R1.15 C[C@@H]1CCCN[C@@H]1CO Z2737203189 [1,0,0,1,0,0|1,0,1]=4 295 B9R1.15 C[C@@H]1NCCC[C@@H]1CO Z5613103409 [1,0,0,1,0,0|1,0,1]=4 296 B9R1.15 N#CC1CCCCC1=O Z1137167009 [1,0,0,1,0,0|1,0,1]=4 297 B9R1.15 NCC1CCCCC1O Z409444222 [1,0,0,1,0,0|1,0,1]=4 298 B9R1.15 NCC1CCCNC1=O Z2289798362 [1,0,0,1,0,0|2,0,0]=4 299 B9R1.15 NC[C@@H]1CCCC[C@@H]1O Z2306746656 [1,0,0,1,0,0|1,0,1]=4 300 B9R1.15 O=C1NCCCC1CO Z1203732010 [1,0,0,1,0,0|2,0,0]=4 301 B9R1.15 O=CC1CCCCC1F Z1813140630 [1,0,0,1,0,0|1,0,0]=3 302 B9R1.15 OCC1CCCCC1O Z1198163949 [1,0,0,1,0,0|1,0,1]=4 303 B9R1.16 CC1CC1CCCC=O Z3271342479 [1,0,0,1,0,0|0,0,0]=2 304 B9R1.17 NCCCCC1CCC1 Z5398432947 [1,0,0,1,0,0|1,0,0]=3 305 B9R1.17 NCCOCC1CCC1 Z1263592136 [1,0,0,1,0,0|2,0,0]=4 306 B9R1.17 OCCCNC1CCC1 Z859816160 [1,0,0,1,0,0|1,0,1]=4 307 B9R1.17 OCCOCC1CCC1 Z2256067074 [1,0,0,1,0,0|1,0,1]=4 308 B9R1.33 C=CCC1CCCC1N Z993059006 [1,0,0,1,0,0|1,0,1]=4 309 B9R1.33 CCNC1CCNC1=O Z1998636522 [1,0,0,1,0,0|2,0,0]=4 310 B9R1.33 CCN[C@@H]1CCC[C@H]1O Z1796000613 [1,0,0,1,0,0|1,0,1]=4 311 B9R1.33 CCSC1CCCC1N Z1238713136 [1,0,0,1,0,0|2,0,0]=4 312 B9R1.33 CN1CCCC1CCN Z1255415415 [1,0,0,1,0,0|2,0,0]=4 313 B9R1.33 CN1CCCC1CCO Z607750234 [1,0,0,1,0,0|1,0,1]=4 314 B9R1.33 CNCC1CCCC1O Z1268477814 [1,0,0,1,0,0|1,0,1]=4 315 B9R1.33 NC1CCCC1CCO Z1509036975 [1,0,0,1,0,0|1,0,1]=4 316 B9R1.33 NCC[C@@H]1CCC[C@@H]1O Z4317048669 [1,0,0,1,0,0|1,0,1]=4 317 B9R1.33 NCC[C@@H]1CCC[C@H]1O Z3272980752 [1,0,0,1,0,0|1,0,1]=4 318 B9R1.33 O=C1CCCC1CCF Z1416228589 [1,0,0,1,0,0|1,0,0]=3 319 B9R1.33 O=C1CCCN1CCO Z104478410 [1,0,0,1,0,0|2,0,0]=4 320 B9R1.33 O=C1NCCC1CCO Z1203745921 [1,0,0,1,0,0|2,0,0]=4 321 B9R1.50 CC1CCCCCCN1 Z3487835965 [1,0,0,1,0,0|1,0,0]=3 322 B9R1.50 NC1CCCCCCC1 Z104478188 [1,0,0,1,0,0|1,0,0]=3 323 B9R1.50 O=C1CCCCCCC1 Z104474712 [1,0,0,1,0,0|0,0,0]=2 324 B9R1.50 O=C1CCCCNCC1 Z5186715583 [1,0,0,1,0,0|1,0,0]=3 325 B9R1.50 O=C1CCNCCCN1 Z1262578602 [1,0,0,1,0,0|2,0,0]=4 326 B9R1.50 OC1CCCCCCC1 Z104472780 [1,0,0,1,0,0|0,0,1]=3 327 B9R1.83 C=CCCCCC1CO1 Z1255356056 [1,0,0,1,0,0|1,0,1]=4 328 B9R1.83 CCCCCCC1CO1 Z1020680070 [1,0,0,1,0,0|0,0,1]=3 329 B9R1.83 CCCCOCC1CO1 Z409191626 [1,0,0,1,0,0|1,0,1]=4 330 B9R1.83 NCCOCCC1CC1 Z3629170058 [1,0,0,1,0,0|2,0,0]=4 331 B9R1.83 O=CCCCCC1CC1 Z3002702510 [1,0,0,1,0,0|0,0,0]=2 332 B9R1.83 O=CCCOCC1CC1 Z1080366652 [1,0,0,1,0,0|1,0,0]=3 333 B9R1.83 OCCCCNC1CC1 Z839096664 [1,0,0,1,0,0|1,0,1]=4 334 B9R1.89 CCC1CCCCCN1 Z992736884 [1,0,0,1,0,0|1,0,0]=3 335 B9R1.89 CCC1CCCNCC1 Z425362302 [1,0,0,1,0,0|1,0,1]=4 336 B9R1.89 CCC1CCNCCO1 Z3275232542 [1,0,0,1,0,0|1,0,1]=4 337 B9R1.89 CCC1CCOCCN1 Z3275231194 [1,0,0,1,0,0|2,0,0]=4 338 B9R1.89 CNC1CCCCCC1 Z102766800 [1,0,0,1,0,0|1,0,1]=4 339 B9R1.89 NCC1C=CCCCC1 Z3443270742 [1,0,0,1,0,0|1,0,1]=4 340 B9R1.89 NCC1CCCCCC1 Z415655096 [1,0,0,1,0,0|1,0,0]=3 341 B9R1.89 NCC1CCCOCC1 Z4438964521 [1,0,0,1,0,0|2,0,0]=4 342 B9R1.89 NCC1CCCSCC1 Z3037487975 [1,0,0,1,0,0|2,0,0]=4 343 B9R1.89 O=CC1=CCCCCC1 Z1190318867 [1,0,0,1,0,0|0,0,2]=4 344 B9R1.89 O=CC1CCCCCC1 Z1079442748 [1,0,0,1,0,0|0,0,0]=2 345 B9R1.89 O=CC1CCCOCC1 Z1268606450 [1,0,0,1,0,0|1,0,0]=3 346 B9R1.89 O=CC1COCCOC1 Z1813175634 [1,0,0,1,0,0|2,0,0]=4 347 B9R1.89 O=CN1CCCNCC1 Z104510266 [1,0,0,1,0,0|2,0,0]=4 348 B9R1.89 OCC1CCCCCC1 Z992928672 [1,0,0,1,0,0|0,0,1]=3 349 B9R1.89 OCC1CCCCNC1 Z1318147457 [1,0,0,1,0,0|1,0,1]=4 350 B9R1.103 C1CCCCNCCC1 Z1203730912 [1,0,0,1,0,0|1,0,0]=3 351 B11R1.4 N#CCCNCC1CCCC1 Z369496824 [0,1,0,1,0,0|1,0,1]=4 352 B11R1.16 CCCC(N)C1CCCCC1 Z513797868 [0,1,0,1,0,0|1,0,1]=4 353 B11R1.16 CNCC(C)C1CCCCC1 Z2680755428 [0,1,0,1,0,0|2,0,0]=4 354 B11R1.16 NC(CCO)C1CCCCC1 Z979743602 [0,1,0,1,0,0|0,0,2]=4 355 B11R1.81 CCCC1CCC(=O)NC1=O Z1198160343 [0,1,0,1,0,0|1,0,1]=4 356 B11R1.101 CN1CCCCCNCCC1 Z2941505335 [0,1,0,1,0,0|2,0,0]=4 357 B11R1.101 NC1CCCCCCCCC1 Z3244659869 [0,1,0,1,0,0|1,0,1]=4 358 B11R1.101 O=C1CCCCCCCCN1 Z1255465322 [0,1,0,1,0,0|0,0,0]=2 359 B11R1.117 CNCC1CCCCCCC1 Z1258570420 [0,1,0,1,0,0|1,0,1]=4 360 B11R1.180 CNCCCN1CCOC1=O Z3824865743 [0,1,0,1,0,0|2,0,0]=4 361 B11R1.180 COCCNC1CCCC1C Z1118527884 [0,1,0,1,0,0|2,0,0]=4 362 B11R1.199 CCOC(=O)C1CCCC1=O Z56907444 [0,1,0,1,0,0|1,0,1]=4 363 B11R1.774 CCCC1(NCCNC1=O)C Z978935124 [0,1,0,1,0,0|2,0,0]=4 364 B11R1.774 COCC1(CCCNC1=O)C Z3067325954 [0,1,0,1,0,0|2,0,0]=4 365 B11R1.779 CNCC1(CCCCCC1)O Z1742055045 [0,1,0,1,0,0|2,0,0]=4 366 B11R1.27 CCCCCC1CCC(=O)O1 Z1255430984 [0,1,0,1,0,0|0,0,0]=2 367 B11R1.53 CC(=O)N1CCCCC1CO Z275745460 [0,1,0,1,0,0|2,0,0]=4 368 B11R1.53 CCC1CCCCC1C(=O)O Z1162465707 [0,1,0,1,0,0|0,0,0]=2 369 B11R1.53 CCC1CCCCN1C(=O)N Z235248554 [0,1,0,1,0,0|1,0,0]=3 370 B11R1.53 CCC1OCCCC1C(=O)O Z1318264671 [0,1,0,1,0,0|1,0,0]=3 371 B11R1.53 CCN1CCCCC1C(=O)O Z803129924 [0,1,0,1,0,0|1,0,0]=3 372 B11R1.53 CCN1CCOCC1C(=O)O Z1582264059 [0,1,0,1,0,0|2,0,0]=4 373 B11R1.53 COC1CCCCC1C(=O)O Z1080715176 [0,1,0,1,0,0|1,0,0]=3 374 B11R1.53 COC1CCNCC1C(=O)O Z4105034441 [0,1,0,1,0,0|2,0,0]=4 375 B11R1.53 NC[C@@H]1CCCC[C@@H]1C(=O)O Z2915026000 [0,1,0,1,0,0|1,0,0]=3 376 B11R1.57 CCN1CCCC1CC(=O)O Z1695906928 [0,1,0,1,0,0|1,0,0]=3 377 B11R1.57 O=C(O)CN1CCCC1CO Z817025854 [0,1,0,1,0,0|2,0,0]=4 378 B11R1.86 CC(=O)NC1CCCCC1C Z32972082 [0,1,0,1,0,0|1,0,0]=3 379 B11R1.86 CC(C)CC1CCCCC1N Z3406095613 [0,1,0,1,0,0|1,0,1]=4 380 B11R1.86 CC(C)CN1CCNCC1=O Z975809902 [0,1,0,1,0,0|2,0,0]=4 381 B11R1.86 CC1CCCCC1CC(=O)O Z352783476 [0,1,0,1,0,0|0,0,0]=2 382 B11R1.86 CC1CCCCC1NC(=O)N Z56985817 [0,1,0,1,0,0|1,0,0]=3 383 B11R1.86 CC1CCCCN1CC(=O)N Z54751033 [0,1,0,1,0,0|1,0,0]=3 384 B11R1.86 CC1CCNCC1CC(=O)O Z2515281558 [0,1,0,1,0,0|1,0,0]=3 385 B11R1.86 CN(C)CC1CCCCC1=O Z56770961 [0,1,0,1,0,0|1,0,0]=3 386 B11R1.86 CN1CCCCC1CC(=O)O Z2106602368 [0,1,0,1,0,0|1,0,0]=3 387 B11R1.86 NC1CCOCC1CC(=O)O Z2732475544 [0,1,0,1,0,0|2,0,0]=4 388 B11R1.86 N[C@@H]1CCCC[C@@H]1CC(=O)O Z2235791115 [0,1,0,1,0,0|1,0,0]=3 389 B11R1.86 O=C(O)C[C@@H]1CCCC[C@H]1O Z1262514098 [0,1,0,1,0,0|1,0,0]=3 390 B11R1.90 CC(C)CCC1CCCC1=O Z813018302 [0,1,0,1,0,0|0,0,0]=2 391 B11R1.90 CC(C)CCC1CCCC1N Z813018522 [0,1,0,1,0,0|1,0,1]=4 392 B11R1.90 CC(O)CCN1CCCC1=O Z854216260 [0,1,0,1,0,0|1,0,0]=3 393 B11R1.90 CN1CCCC1CCC(=N)N Z4523599584 [0,1,0,1,0,0|2,0,0]=4 394 B11R1.90 CN1CCCC1CCC(=O)O Z2517419474 [0,1,0,1,0,0|1,0,0]=3 395 B11R1.90 O=C([O-])CCC1CCCC1=O Z4356981513 [0,1,0,1,0,0|1,0,1]=4 396 B11R1.91 CC(=O)/C=C/C1CCCCC1 Z1217226894 [0,1,0,1,0,0|0,0,2]=4 397 B11R1.91 CC(=O)CCC1CCCCC1 Z406376884 [0,1,0,1,0,0|0,0,0]=2 398 B11R1.91 CC(=O)CCN1CCOCC1 Z53116541 [0,1,0,1,0,0|2,0,0]=4 399 B11R1.91 CC(=O)CCN1CCSCC1 Z906169788 [0,1,0,1,0,0|2,0,0]=4 400 B11R1.91 CC(=O)NCC1CCCCN1 Z1456490747 [0,1,0,1,0,0|2,0,0]=4 401 B11R1.91 CC(=O)NCC1CCCNC1 Z285140846 [0,1,0,1,0,0|2,0,0]=4 402 B11R1.91 CC(=O)NCC1CCNCC1 Z425484868 [0,1,0,1,0,0|2,0,0]=4 403 B11R1.91 CC(=O)OCC1CCCNC1 Z1201627162 [0,1,0,1,0,0|2,0,0]=4 404 B11R1.91 CC(=O)OCC1CCNCC1 Z1201627163 [0,1,0,1,0,0|2,0,0]=4 405 B11R1.91 CC(C)CCC1CCCNC1 Z1416203156 [0,1,0,1,0,0|2,0,0]=4 406 B11R1.91 CC(O)CCC1CCCCC1 Z854048750 [0,1,0,1,0,0|0,0,2]=4 407 B11R1.91 N=C(N)CCN1CCCCC1 Z1695728994 [0,1,0,1,0,0|2,0,0]=4 408 B11R1.91 N=C(N)NCC1CCCCC1 Z991126698 [0,1,0,1,0,0|2,0,0]=4 409 B11R1.91 NC(=O)CCC1CCCCC1 Z33547070 [0,1,0,1,0,0|0,0,0]=2 410 B11R1.91 NC(=O)CCC1CCCNC1 Z852089132 [0,1,0,1,0,0|1,0,0]=3 411 B11R1.91 NC(=O)CCC1CCNCC1 Z963586266 [0,1,0,1,0,0|1,0,0]=3 412 B11R1.91 NC(=O)COC1CCNCC1 Z1702888512 [0,1,0,1,0,0|2,0,0]=4 413 B11R1.91 NC(=O)NCC1CCCCC1 Z198194728 [0,1,0,1,0,0|1,0,0]=3 414 B11R1.91 NC(=O)NCC1CCCNC1 Z285141404 [0,1,0,1,0,0|2,0,0]=4 415 B11R1.91 NC(=O)NCC1CCNCC1 Z444350016 [0,1,0,1,0,0|2,0,0]=4 416 B11R1.91 O=C(O)/C=C/C1CCCCC1 Z975822798 [0,1,0,1,0,0|0,0,2]=4 417 B11R1.91 O=C(O)CCC1CCCCC1 Z104479892 [0,1,0,1,0,0|0,0,0]=2 418 B11R1.91 O=C(O)CCC1CCCCN1 Z1526503392 [0,1,0,1,0,0|1,0,0]=3 419 B11R1.91 O=C(O)CCC1CCCCO1 Z1167042736 [0,1,0,1,0,0|1,0,0]=3 420 B11R1.91 O=C(O)CCC1CCCNC1 Z839027062 [0,1,0,1,0,0|1,0,0]=3 421 B11R1.91 O=C(O)CCC1CCCOC1 Z1154555237 [0,1,0,1,0,0|1,0,0]=3 422 B11R1.91 O=C(O)CCC1CCNCC1 Z364250128 [0,1,0,1,0,0|1,0,0]=3 423 B11R1.91 O=C(O)CCC1CCOCC1 Z979765670 [0,1,0,1,0,0|1,0,0]=3 424 B11R1.91 O=C(O)CCC1CNCCO1 Z3326049576 [0,1,0,1,0,0|2,0,0]=4 425 B11R1.91 O=C(O)CCN1CCCCC1 Z744843478 [0,1,0,1,0,0|1,0,0]=3 426 B11R1.91 O=C(O)CCN1CCNCC1 Z57683717 [0,1,0,1,0,0|2,0,0]=4 427 B11R1.91 O=C(O)CCN1CCOCC1 Z57683745 [0,1,0,1,0,0|2,0,0]=4 428 B11R1.91 O=C(O)CNC1CCCCC1 Z1259273154 [0,1,0,1,0,0|1,0,0]=3 429 B11R1.91 O=C(O)CNC1CCNCC1 Z1694636318 [0,1,0,1,0,0|2,0,0]=4 430 B11R1.91 O=C(O)COC1CCCCC1 Z316258722 [0,1,0,1,0,0|1,0,0]=3 431 B11R1.91 O=C(O)COC1CCCOC1 Z1898756150 [0,1,0,1,0,0|2,0,0]=4 432 B11R1.91 O=C(O)COC1CCNCC1 Z1511483985 [0,1,0,1,0,0|2,0,0]=4 433 B11R1.91 O=C(O)COC1CCOCC1 Z802587584 [0,1,0,1,0,0|2,0,0]=4 434 B11R1.91 O=C(O)CSC1CCCCO1 Z1262516824 [0,1,0,1,0,0|2,0,0]=4 435 B11R1.91 O=C([O-])CCC1CNCCN1 Z1708090070 [0,1,0,1,0,0|2,0,0]=4 436 B11R1.143 CC(=O)N1CCCOCC1C Z1478811949 [0,1,0,1,0,0|2,0,0]=4 437 B11R1.143 NC(=O)C1CCCCCC1N Z1407673034 [0,1,0,1,0,0|1,0,0]=3 438 B11R1.143 N[C@@H]1CCCCC[C@@H]1C(=O)O Z2306862306 [0,1,0,1,0,0|1,0,0]=3 439 B11R1.172 CC(=O)NCCC1CCCC1 Z318202282 [0,1,0,1,0,0|1,0,0]=3 440 B11R1.172 O=C(O)CCCC1CCCC1 Z1209411148 [0,1,0,1,0,0|0,0,0]=2 441 B11R1.172 O=C(O)CCCN1CCCC1 Z763029994 [0,1,0,1,0,0|1,0,0]=3 442 B11R1.172 O=C(O)CCNC1CCCC1 Z910841990 [0,1,0,1,0,0|1,0,0]=3 443 B11R1.172 O=C(O)CCSC1CCCC1 Z102926388 [0,1,0,1,0,0|1,0,0]=3 444 B11R1.172 O=C(O)CNCC1CCCO1 Z4840900390 [0,1,0,1,0,0|2,0,0]=4 445 B11R1.172 O=C(O)COCC1CCCC1 Z1255418412 [0,1,0,1,0,0|1,0,0]=3 446 B11R1.172 O=C(O)COCC1CCCO1 Z316259308 [0,1,0,1,0,0|2,0,0]=4 447 B11R1.172 O=C(O)COCC1CCOC1 Z825745840 [0,1,0,1,0,0|2,0,0]=4 448 B11R1.172 O=C(O)CSCC1CCCO1 Z239951478 [0,1,0,1,0,0|2,0,0]=4 449 B11R1.193 CCCC1CCCC1C(=O)O Z1434224393 [0,1,0,1,0,0|0,0,0]=2 450 B11R1.193 CCCC1CCNC1C(=O)O Z2217033073 [0,1,0,1,0,0|1,0,0]=3 451 B11R1.193 CCCN1CCCC1C(=O)O Z326520902 [0,1,0,1,0,0|1,0,0]=3 452 B11R1.193 COCC1CCCN1C(=O)N Z1216834025 [0,1,0,1,0,0|2,0,0]=4 453 B11R1.706 O=C(O)C1CCCCCCC1 Z792377154 [0,1,0,1,0,0|0,0,0]=2 454 B11R1.706 O=C(O)C1CCCCCCN1 Z1998612770 [0,1,0,1,0,0|1,0,0]=3 455 B11R1.742 CC(=O)CN1CCCCCC1 Z56041634 [0,1,0,1,0,0|1,0,0]=3 456 B11R1.742 CC(=O)NC1CCCCCC1 Z32452010 [0,1,0,1,0,0|1,0,0]=3 457 B11R1.742 CC(C)CC1CCCCCN1 Z992736924 [0,1,0,1,0,0|1,0,1]=4 458 B11R1.742 CC(O)CC1CCCCCN1 Z1332990062 [0,1,0,1,0,0|1,0,1]=4 459 B11R1.742 NC(=O)CC1CCCCCC1 Z1262638694 [0,1,0,1,0,0|0,0,0]=2 460 B11R1.742 NC(=O)CC1CCCNCC1 Z1746998025 [0,1,0,1,0,0|1,0,0]=3 461 B11R1.742 NC(=O)CN1CCCNCC1 Z426041418 [0,1,0,1,0,0|2,0,0]=4 462 B11R1.742 NC(=O)NC1CCCNCC1 Z3613001386 [0,1,0,1,0,0|2,0,0]=4 463 B11R1.742 O=C(O)CC1CCCCCC1 Z352783664 [0,1,0,1,0,0|0,0,0]=2 464 B11R1.742 O=C(O)CC1CCCNCC1 Z2830496103 [0,1,0,1,0,0|1,0,0]=3 465 B11R1.742 O=C(O)CN1CCCCCC1 Z1171978829 [0,1,0,1,0,0|1,0,0]=3 466 B11R1.742 O=C(O)CN1CCCNCC1 Z1259161963 [0,1,0,1,0,0|2,0,0]=4 467 B11R1.5 COCC1CCCCNC1=O Z1650040301 [0,1,0,1,0,0|1,0,0]=3 468 B11R1.5 O=C1CCCCCN1CCO Z425794504 [0,1,0,1,0,0|1,0,0]=3 469 B11R1.17 C/C=C/CC1CCCNC1=O Z2649686777 [0,1,0,1,0,0|0,0,2]=4 470 B11R1.17 CC1CCCCC1OCC#N Z295206412 [0,1,0,1,0,0|1,0,1]=4 471 B11R1.17 CC1CCCCN1CCCO Z168932308 [0,1,0,1,0,0|0,0,2]=4 472 B11R1.17 CCCCC1NCCNC1=O Z978935228 [0,1,0,1,0,0|1,0,0]=3 473 B11R1.17 CNCCC1CCCCN1C Z138106256 [0,1,0,1,0,0|2,0,0]=4 474 B11R1.17 COCCN1CCNCC1=O Z1569708786 [0,1,0,1,0,0|2,0,0]=4 475 B11R1.17 O=C1CCCCN1CCCO Z425794956 [0,1,0,1,0,0|1,0,0]=3 476 B11R1.18 CCC1CCCC1NCC#N Z1912436131 [0,1,0,1,0,0|1,0,1]=4 477 B11R1.28 CCCCCC1CCCCN1 Z1082216934 [0,1,0,1,0,0|1,0,1]=4 478 B11R1.28 CCCCNC1CCCCC1 Z2218556189 [0,1,0,1,0,0|1,0,1]=4 479 B11R1.28 CCCNCC1CCCCC1 Z57170999 [0,1,0,1,0,0|1,0,1]=4 480 B11R1.28 CCCNCC1CCCCO1 Z138447410 [0,1,0,1,0,0|0,0,2]=4 481 B11R1.28 COCCNC1CCCCC1 Z90501874 [0,1,0,1,0,0|2,0,0]=4 482 B11R1.28 N#CCCOC1CCCCC1 Z317037706 [0,1,0,1,0,0|1,0,1]=4 483 B11R1.28 O=CNCCN1CCOCC1 Z1258521081 [0,1,0,1,0,0|2,0,0]=4 484 B11R1.28 OCCCCC1CCNCC1 Z3234885301 [0,1,0,1,0,0|0,0,2]=4 485 B11R1.28 OCCCNC1CCCCC1 Z3504619196 [0,1,0,1,0,0|0,0,2]=4 486 B11R1.28 OCCCOC1CCCCC1 Z362785378 [0,1,0,1,0,0|0,0,2]=4 487 B11R1.28 OCCNCC1CCCCC1 Z90504645 [0,1,0,1,0,0|0,0,2]=4 488 B11R1.41 CCC1CCCCN1CC#N Z168890940 [0,1,0,1,0,0|1,0,1]=4 489 B11R1.41 CCCN1CCCCC1CN Z326178808 [0,1,0,1,0,0|1,0,1]=4 490 B11R1.203 COCCC1CCCCNC1 Z1682072349 [0,1,0,1,0,0|2,0,0]=4 491 B11R1.203 FCCCN1CCCCCC1 Z3899643792 [0,1,0,1,0,0|1,0,1]=4 492 B11R1.203 N#CCCN1CCCCCC1 Z53116003 [0,1,0,1,0,0|1,0,1]=4 493 B11R1.203 N#CCNC1CCCCCC1 Z267047340 [0,1,0,1,0,0|1,0,1]=4 494 B11R1.203 NCCOC1CCCCCC1 Z756084276 [0,1,0,1,0,0|1,0,1]=4 495 B11R1.203 O=CNN=C1CCCCCC1 Z49645680 [0,1,0,1,0,0|1,0,1]=4 496 B11R1.203 OCCCN1CCCCCC1 Z3069017316 [0,1,0,1,0,0|0,0,2]=4 497 B11R1.203 OCCNC1CCCCCC1 Z1862093141 [0,1,0,1,0,0|0,0,2]=4 498 B11R1.1 C=CCCN1CCC(CC1)N Z2065788355 [0,1,0,1,0,0|2,0,0]=4 499 B11R1.1 CCCCC1CCC(CC1)N Z839028544 [0,1,0,1,0,0|1,0,1]=4 500 B11R1.13 NC1CCCN(C1=O)CCO Z1737971009 [0,1,0,1,0,0|2,0,0]=4 501 B11R1.40 CC(C=O)CC1CCCCC1 Z1238838137 [0,1,0,1,0,0|0,0,0]=2 502 B11R1.40 CC(C=O)CC1CCOCC1 Z1238838084 [0,1,0,1,0,0|1,0,0]=3 503 B11R1.40 CC(CO)CC1CCCCC1 Z1238840407 [0,1,0,1,0,0|0,0,2]=4 504 B11R1.40 NC(CO)CC1CCCCC1 Z1201620851 [0,1,0,1,0,0|0,0,2]=4 505 B11R1.40 NCC(O)CC1CCCCC1 Z5195335934 [0,1,0,1,0,0|1,0,1]=4 506 B11R1.222 CC(CN)N1CCCCC1=O Z2517097576 [0,1,0,1,0,0|2,0,0]=4 507 B11R1.228 CC(CN)CN1CCCC1=O Z406339364 [0,1,0,1,0,0|2,0,0]=4 508 B11R1.228 COC(=O)CC1CCCC1=O Z1198182980 [0,1,0,1,0,0|1,0,1]=4 509 B11R1.410 NC1(CCCCCCC1)CO Z2738576692 [0,1,0,1,0,0|0,0,2]=4 510 B11R1.410 NCC1(CCCCCCC1)O Z4403452657 [0,1,0,1,0,0|1,0,1]=4 511 B11R2.10 CC1CC2CCCCC2N1 Z1171508994 [0,0,0,2,0,0|1,0,1]=4 512 B11R2.10 N[C@@H]1C[C@@H]2CCCC[C@@H]2C1 Z3211867630 [0,0,0,2,0,0|1,0,1]=4 513 B11R2.10 O=C1C[C@@H]2CCNC[C@@H]2N1 Z2941409830 [0,0,0,2,0,0|2,0,0]=4 514 B11R2.10 O=C1C[C@@H]2NCCC[C@@H]2N1 Z2568671488 [0,0,0,2,0,0|2,0,0]=4 515 B11R2.10 O=C1N[C@H]2CCCC[C@H]2N1 Z3227128710 [0,0,0,2,0,0|2,0,0]=4 516 B11R2.10 O=C1OC2CCCCC2O1 Z1201621064 [0,0,0,2,0,0|2,0,0]=4 517 B11R2.20 C1CCC2CCCCC2C1 Z104474658 [0,0,0,2,0,0|1,0,1]=4 518 B11R2.20 C1CCC2CNCCC2C1 Z3492354682 [0,0,0,2,0,0|1,0,1]=4 519 B11R2.20 C1CC[C@H]2NCCC[C@H]2C1 Z1203731004 [0,0,0,2,0,0|1,0,1]=4 520 B11R2.55 O=C1CCCCC1C2CC2 Z1233201574 [0,0,0,2,0,0|0,0,0]=2 521 B11R2.55 O=C1CNCCN1C2CC2 Z1198172656 [0,0,0,2,0,0|2,0,0]=4 522 B11R2.68 CC1CCC2CC1NC2=O Z1203749581 [0,0,0,2,0,0|1,0,0]=3 523 B11R2.106 O=C1CCNC2N1CCC2 Z2900168935 [0,0,0,2,0,0|2,0,0]=4 524 B11R2.106 O=C1NCCN2C1CCC2 Z336079880 [0,0,0,2,0,0|2,0,0]=4 525 B11R2.106 O=C1NCC[C@H]2[C@@H]1CCO2 Z2309893036 [0,0,0,2,0,0|2,0,0]=4 526 B11R2.120 CN1C2CCCC1C(=O)C2 Z5626300430 [0,0,0,2,0,0|1,0,0]=3 527 B11R2.248 N#CCC1CC2CCC1C2 Z1079178860 [0,0,0,2,0,0|1,0,1]=4 528 B11R2.248 NCCC1CC2CCC1C2 Z432067000 [0,0,0,2,0,0|1,0,1]=4 529 B11R2.357 O=C1CCC2CCCN1C2 Z1509062698 [0,0,0,2,0,0|1,0,0]=3 530 B11R2.357 O=C1CCC2CCNC1C2 Z3013817851 [0,0,0,2,0,0|1,0,0]=3 531 B11R2.357 O=C1NCC2CCCC1N2 Z3487940635 [0,0,0,2,0,0|2,0,0]=4 532 B11R2.370 O=C1NCCCC12CNC2 Z1198309866 [0,0,0,2,0,0|2,0,0]=4 533 B11R2.370 O=C1NCCNC12CCC2 Z1198172690 [0,0,0,2,0,0|2,0,0]=4 534 B11R2.370 O=C1NCCSC12CCC2 Z4643636799 [0,0,0,2,0,0|2,0,0]=4 535 B11R2.370 O=S1CCNCC12CCC2 Z4655556404 [0,0,0,2,0,0|2,0,0]=4 536 B11R2.565 O=C1C2CCCC1CCC2 Z1259338820 [0,0,0,2,0,0|0,0,0]=2 537 B11R2.565 O=C1C2CCCC1COC2 Z1509060896 [0,0,0,2,0,0|1,0,0]=3 538 B11R2.641 NCCC1CCCC2C1C2 Z4076162898 [0,0,0,2,0,0|1,0,1]=4 539 B11R2.8 N[C@H]1C(=O)O[C@@H]2[C@H]1CCC2 Z3371285302 [0,0,0,2,0,0|2,0,0]=4 540 B11R2.18 C1CC2CCNCCC2C1 Z4351247729 [0,0,0,2,0,0|1,0,1]=4 541 B11R2.36 NC1CCC2CCCC2C1 Z1259341392 [0,0,0,2,0,0|1,0,1]=4 542 B11R2.36 O=C1CCC2CNCC2N1 Z1509106290 [0,0,0,2,0,0|2,0,0]=4 543 B11R2.36 O=C1CN2CCCC2CN1 Z1203745969 [0,0,0,2,0,0|2,0,0]=4 544 B11R2.143 O=CCC1CCCC12CC2 Z4694160744 [0,0,0,2,0,0|0,0,0]=2 545 B11R2.216 NCC1CCCC1C2CC2 Z2301415771 [0,0,0,2,0,0|1,0,1]=4 546 B11R2.282 NCC1CCCC12CCC2 Z3302271630 [0,0,0,2,0,0|1,0,1]=4 547 B11R2.1 CC1CNC2C1CCCC2 Z1202249435 [0,0,0,2,0,0|2,0,0]=4 548 B11R2.1 O=C1CCC2N1CCNC2 Z4884991057 [0,0,0,2,0,0|2,0,0]=4 549 B11R2.1 O=C1NC[C@@H]2[C@H]1CCCN2 Z1968124423 [0,0,0,2,0,0|2,0,0]=4 550 B11R2.1 O=C1NC[C@H]2[C@@H]1CCCC2 Z2307208665 [0,0,0,2,0,0|1,0,0]=3 551 B11R2.1 O=C1NC[C@H]2[C@@H]1CCCN2 Z3379440575 [0,0,0,2,0,0|2,0,0]=4 552 B11R2.1 O=C1OCC2C1CCNC2 Z4438428292 [0,0,0,2,0,0|2,0,0]=4 553 B11R2.4 NC1CC1C2CCCCC2 Z1259273403 [0,0,0,2,0,0|1,0,1]=4 554 B11R2.12 O=C1NCC12CCCOC2 Z2865012678 [0,0,0,2,0,0|2,0,0]=4 555 B11R2.13 NCC1CC12CCCCC2 Z3247610236 [0,0,0,2,0,0|1,0,1]=4 556 B11R2.13 O=CC1CC12CCCCC2 Z1511870834 [0,0,0,2,0,0|0,0,0]=2 557 B11R2.13 O=CC1CC12CCCOC2 Z3243445308 [0,0,0,2,0,0|1,0,0]=3 558 B11R2.13 O=CC1CC12CCOCC2 Z1999520977 [0,0,0,2,0,0|1,0,0]=3 559 B11R2.164 NCC1CC2C=CC1CC2 Z2350772866 [0,0,0,2,0,0|2,0,0]=4 560 B11R2.164 NCC1CC2CCC1CC2 Z2380439346 [0,0,0,2,0,0|1,0,1]=4 561 B11R2.164 O=CC1CC2CCC1CC2 Z1511766105 [0,0,0,2,0,0|0,0,0]=2 562 B11R2.164 O=C[C@@H]1C[C@@H]2C=C[C@H]1CC2 Z3215698628 [0,0,0,2,0,0|0,0,2]=4 563 B11R2.239 C1CCC(CC1)C2CNC2 Z2216711539 [0,0,0,2,0,0|2,0,0]=4 564 B11R2.1037 C1CC2CCNCC(C1)C2 Z3379439950 [0,0,0,2,0,0|2,0,0]=4 565 B11R2.1261 C1CCC2(C1)CCCNC2 Z1201622130 [0,0,0,2,0,0|2,0,0]=4 566 B11R2.1261 C1CCC2(CC1)CCCN2 Z1526503348 [0,0,0,2,0,0|1,0,1]=4 567 B11R2.1261 C1CCC2(CC1)CCNC2 Z979421238 [0,0,0,2,0,0|2,0,0]=4 568 B11R2.63 CN1C2CCC1C(=O)NC2 Z1203735322 [0,0,0,2,0,0|2,0,0]=4 569 B11R2.199 O=S1C2CCNCC1CC2 Z2680684069 [0,0,0,2,0,0|2,0,0]=4 570 B11R2.266 O=C[C@@H]1CC[C@H]2C[C@@H]1CO2 Z3024996692 [0,0,0,2,0,0|1,0,0]=3 571 B11R2.471 O=C1NCCCNC12CC2 Z2901605438 [0,0,0,2,0,0|2,0,0]=4 572 B11R2.711 N[C@@H]1C[C@H]2[C@@H]1CCCCC2 Z3616240777 [0,0,0,2,0,0|1,0,1]=4 573 B11R2.711 O=C1NC2C1CCCCC2 Z1203733441 [0,0,0,2,0,0|1,0,0]=3 574 B11R2.2 C1CCC(C1)C2CCCN2 Z744754698 [0,0,0,2,0,0|1,0,1]=4 575 B11R2.3 O=C1NCCC12CCCC2 Z1203733994 [0,0,0,2,0,0|1,0,0]=3 576 B11R2.3 O=C1OCCC12CCCC2 Z1716391095 [0,0,0,2,0,0|1,0,0]=3 577 B11R2.3 O=C1OCCC12CCCN2 Z1741785940 [0,0,0,2,0,0|2,0,0]=4 578 B11R2.3 O=C1OCCC12CCNC2 Z2418414019 [0,0,0,2,0,0|2,0,0]=4 579 B11R2.3 OC1CCCC12CCCC2 Z1896300084 [0,0,0,2,0,0|0,0,2]=4 580 B11R2.32 NCC1CC1C2CCCC2 Z3035016249 [0,0,0,2,0,0|1,0,1]=4 581 B11R2.32 O=C[C@@H]1C[C@H]1C2OCCO2 Z4210322943 [0,0,0,2,0,0|2,0,0]=4 582 B11R2.237 C1CC(C1)CC2CCNC2 Z2310672788 [0,0,0,2,0,0|2,0,0]=4 583 B11R2.15 NCC1CC2CCCC2C1 Z4133940794 [0,0,0,2,0,0|1,0,1]=4 584 B11R2.115 O=C1CCCN1CC2CO2 Z271128090 [0,0,0,2,0,0|2,0,0]=4 585 B11R2.115 O=C1CCCN1C[C@@H]2CO2 Z1216838422 [0,0,0,2,0,0|2,0,0]=4 586 B11R2.115 O=C1CNCN1CC2CC2 Z1602661366 [0,0,0,2,0,0|2,0,0]=4 587 B11R2.115 O=C1NCCC1CC2CC2 Z1255439551 [0,0,0,2,0,0|1,0,0]=3 588 B11R2.459 O=C1CCCN1C2CNC2 Z2906280476 [0,0,0,2,0,0|2,0,0]=4 589 B11R2.1242 C1CCC2(CCC2)CNC1 Z2310679083 [0,0,0,2,0,0|2,0,0]=4 590 B11R2.1387 O=CC1C2C1CCCCC2 Z1511825784 [0,0,0,2,0,0|0,0,0]=2