0 B11R0.3 CCCCCCCCCCC=O Z993017862 [0,0,0,0,0,0|0,0,4]=4 1 B11R0.3 CCCCCCCCCCNC Z102767086 [0,0,0,0,0,0|2,0,2]=4 2 B11R0.3 CCCCCCCCSCCO Z425753146 [0,0,0,0,0,0|1,0,1]=2 3 B11R0.3 CCCCCCCNCCCO Z139305228 [0,0,0,0,0,0|1,0,2]=3 4 B11R0.3 OCCSCCCCSCCO Z1269109601 [0,0,0,0,0,0|3,0,1]=4 5 B10R0.71 C=CCCCCCCCCN Z2083000288 [1,0,0,0,0,0|1,0,2]=4 6 B10R0.71 CCCCCCCCCC=O Z104477054 [1,0,0,0,0,0|0,0,2]=3 7 B10R0.71 CCCCCCCCCCN Z362810900 [1,0,0,0,0,0|1,0,1]=3 8 B10R0.71 CCCCCCCCCNC Z752371288 [1,0,0,0,0,0|1,0,1]=3 9 B10R0.71 CCCCCNCCCOC Z137847940 [1,0,0,0,0,0|2,0,1]=4 10 B12R0.1 CCOC(=O)CCCCCCCN Z1295580418 [0,1,0,0,0,0|3,0,0]=4 11 B12R0.5 CCCCCCCCCC#CCO Z1198168660 [0,1,0,0,0,0|0,0,2]=3 12 B12R0.5 CCCCCCCCCCCC#N Z966176448 [0,1,0,0,0,0|1,0,2]=4 13 B12R0.5 CCCCCCCCCCCCN Z104474358 [0,1,0,0,0,0|1,0,2]=4 14 B12R0.5 CCCCCCCCCCCCO Z104476554 [0,1,0,0,0,0|0,0,2]=3 15 B12R0.5 CCCCCCCCNCCCN Z600494288 [0,1,0,0,0,0|1,0,2]=4 16 B12R0.5 CCCCCCCCOCCCN Z1262237229 [0,1,0,0,0,0|1,0,2]=4 17 B12R0.5 CCCCCCNCCCCCC Z104475172 [0,1,0,0,0,0|1,0,2]=4 18 B12R0.5 NCCCCCCCCCCCO Z1198263294 [0,1,0,0,0,0|0,0,2]=3 19 B12R0.234 CCCCCCCCCCC(=O)O Z104473988 [0,1,0,0,0,0|0,0,3]=4 20 B12R0.234 CCCCCCCCOCC(=O)O Z362795602 [0,1,0,0,0,0|1,0,2]=4 21 B12R0.248 C=CC(=O)NCCCCCCCC Z1509144978 [0,1,0,0,0,0|2,0,1]=4 22 B12R1.8 CCCCCCC1CCCCN1 Z3214214291 [0,0,0,1,0,0|1,0,2]=4 23 B12R1.8 CCCCCCC1CCNCC1 Z2235307016 [0,0,0,1,0,0|2,0,1]=4 24 B12R1.8 COCCNCC1CC=CCC1 Z90501872 [0,0,0,1,0,0|3,0,0]=4 25 B12R1.121 CCC1CCCCC1OCCO Z854227734 [0,0,0,1,0,0|1,0,1]=3 26 B12R1.329 OCCNC1CCCCCCC1 Z90504559 [0,0,0,1,0,0|1,0,1]=3 27 B12R1.375 OCCCCCCCCC1CO1 Z1896536419 [0,0,0,1,0,0|1,0,2]=4 28 B12R1.1414 OCCCNC1CCCCCC1 Z3549614608 [0,0,0,1,0,0|1,0,2]=4 29 B9R0.45 CCCCCCCCCO Z104476100 [2,0,0,0,0,0|0,0,0]=2 30 B9R0.45 CCCCCCCNC=O Z1203732044 [2,0,0,0,0,0|1,0,1]=4 31 B9R0.45 CCCCCCNCCO Z137800948 [2,0,0,0,0,0|1,0,0]=3 32 B9R0.45 CCCCOCCCCO Z993012624 [2,0,0,0,0,0|1,0,0]=3 33 B9R0.45 NCCCCCCCCN Z1203577927 [2,0,0,0,0,0|2,0,0]=4 34 B9R0.45 NCCCCCCCCO Z4745386600 [2,0,0,0,0,0|1,0,0]=3 35 B9R0.45 OCCCCCOCCO Z1897250794 [2,0,0,0,0,0|2,0,0]=4 36 B11R0.40 COC(=O)CCCCCCCN Z1416203196 [1,1,0,0,0,0|2,0,0]=4 37 B11R0.148 CCCCCCCCCC(=O)O Z104474944 [1,1,0,0,0,0|0,0,1]=3 38 B11R0.148 CCCCCCCCNC(=O)C Z1509141066 [1,1,0,0,0,0|1,0,0]=3 39 B11R0.148 CCCCCCCNCC(=O)O Z1259273296 [1,1,0,0,0,0|1,0,1]=4 40 B13R0.2 CCCCCCCCNC(=O)CC#N Z56809223 [0,2,0,0,0,0|2,0,0]=4 41 B13R0.54 CCCCCCCCC/C=C/C(=O)O Z336127680 [0,2,0,0,0,0|0,0,1]=3 42 B13R0.54 CCCCCCCCCCCC(=O)O Z104476194 [0,2,0,0,0,0|0,0,2]=4 43 B13R0.336 OCCCCCCCCCCCCBr Z1259040916 [0,2,0,0,0,0|0,0,2]=4 44 B13R0.150 CCCCCCCCNC(=O)C(=O)O Z1509025750 [0,2,0,0,0,0|1,0,1]=4 45 B13R0.150 CCCCCCCCNC(=O)C(C)O Z1269137708 [0,2,0,0,0,0|1,0,0]=3 46 B11R1.17 CC1CCCCN1CCCO Z168932308 [1,0,0,1,0,0|1,0,1]=4 47 B11R1.28 CCCCCC1CCCCN1 Z1082216934 [1,0,0,1,0,0|1,0,1]=4 48 B11R1.28 CCCNCC1CCCCO1 Z138447410 [1,0,0,1,0,0|1,0,1]=4 49 B11R1.28 OCCCCC1CCNCC1 Z3234885301 [1,0,0,1,0,0|1,0,1]=4 50 B11R1.28 OCCCNC1CCCCC1 Z3504619196 [1,0,0,1,0,0|1,0,1]=4 51 B11R1.28 OCCCOC1CCCCC1 Z362785378 [1,0,0,1,0,0|1,0,1]=4 52 B11R1.28 OCCNCC1CCCCC1 Z90504645 [1,0,0,1,0,0|1,0,1]=4 53 B11R1.101 NC1CCCCCCCCC1 Z3244659869 [1,0,0,1,0,0|1,0,1]=4 54 B11R1.101 O=C1CCCCCCCCN1 Z1255465322 [1,0,0,1,0,0|1,0,1]=4 55 B11R1.117 CNCC1CCCCCCC1 Z1258570420 [1,0,0,1,0,0|1,0,1]=4 56 B11R1.203 OCCCN1CCCCCC1 Z3069017316 [1,0,0,1,0,0|1,0,1]=4 57 B11R1.203 OCCNC1CCCCCC1 Z1862093141 [1,0,0,1,0,0|1,0,1]=4 58 B13R1.279 O=C1CCCCCCCCCCC1 Z104473098 [0,1,0,1,0,0|1,0,1]=4 59 B13R1.659 CCCCCCCCCCC1CO1 Z1255485282 [0,1,0,1,0,0|0,0,2]=4 60 B13R1.27 CCCCCCCC1CCC(=O)O1 Z90120148 [0,1,0,1,0,0|2,0,0]=4 61 B13R1.718 O=C(CCl)NCCC1CCCCC1 Z561406170 [0,1,0,1,0,0|2,0,0]=4 62 B13R1.1870 O=C(CCl)NC1CCCCCCC1 Z56869439 [0,1,0,1,0,0|2,0,0]=4 63 B13R2.3 C1CCC(CC1)C2CNCCO2 Z1258762968 [0,0,0,2,0,0|1,0,1]=4 64 B13R2.64 C1CCC(C1)CC2CNCCO2 Z2867580356 [0,0,0,2,0,0|1,0,1]=4 65 B13R2.8001 C1CCCC2(CC1)CNCCO2 Z959274738 [0,0,0,2,0,0|1,0,1]=4