0 B11R0.3 CCCCCSCCOCCO CSC011997630 [0,0,0,0,0,0|2,0,0]=2 1 B11R0.3 CCCSCCCCSCCC CSC009990883 [0,0,0,0,0,0|3,0,0]=3 2 B11R0.3 OCCSCCCCSCCO CSC009999245 [0,0,0,0,0,0|3,0,0]=3 3 B10R0.71 CCCCCCCSCCO CSC011304838 [1,0,0,0,0,0|1,0,0]=2 4 B10R0.71 CCCCSCCOCCO CSC011409991 [1,0,0,0,0,0|2,0,0]=3 5 B12R0.1 CCCCCCCCC(=O)OCC CSC011218606 [0,1,0,0,0,0|2,0,1]=4 6 B12R0.1 CCCCCCCCS(=O)CCO CSC009995003 [0,1,0,0,0,0|1,0,0]=2 7 B12R0.5 CCCCCCCCCSCCO CSC011304840 [0,1,0,0,0,0|0,0,0]=1 8 B12R0.5 CCCCCCCCSCCC#N CSC009848894 [0,1,0,0,0,0|1,0,1]=3 9 B12R0.5 CCCCCCSCCOCCO CSC019110770 [0,1,0,0,0,0|1,0,0]=2 10 B12R0.47 CCCCCOC(=O)CCCCC CSC000039363 [0,1,0,0,0,0|2,0,1]=4 11 B12R0.206 CCCCCCCC(C)NCCO CSC000713784 [0,1,0,0,0,0|1,0,0]=2 12 B12R0.234 CCCCCCCCCOC(=O)C CSC000210669 [0,1,0,0,0,0|1,0,2]=4 13 B12R0.234 CCCCCCCCSCC(=O)N CSC046179943 [0,1,0,0,0,0|1,0,2]=4 14 B12R0.248 CCCCCCCCCC(=O)NN CSC011221126 [0,1,0,0,0,0|2,0,1]=4 15 B12R0.248 CCCCCCCCCC(=O)OC CSC011215519 [0,1,0,0,0,0|2,0,1]=4 16 B12R0.248 CCCCCCCCOC(=O)CC CSC000054043 [0,1,0,0,0,0|2,0,1]=4 17 B12R1.8 CCCCCCN1CCNCC1 CSC011219892 [0,0,0,1,0,0|3,0,0]=4 18 B12R1.8 CCCCCCN1CCOCC1 CSC000224586 [0,0,0,1,0,0|3,0,0]=4 19 B12R1.8 CCCCNCC1CCCCC1 CSC000200713 [0,0,0,1,0,0|2,0,0]=3 20 B12R1.8 CCNCCNC1CCCCC1 CSC011556061 [0,0,0,1,0,0|3,0,0]=4 21 B12R1.8 COCCNCC1CCCCC1 CSC000200166 [0,0,0,1,0,0|3,0,0]=4 22 B12R1.8 N#CCCCCN1CCCCC1 CSC000223668 [0,0,0,1,0,0|2,0,1]=4 23 B12R1.8 NCCOCCN1CCCCC1 CSC011651313 [0,0,0,1,0,0|3,0,0]=4 24 B12R1.8 OCCCCNC1CCCCC1 CSC000186385 [0,0,0,1,0,0|1,0,0]=2 25 B12R1.8 OCCCNCC1CCCCC1 CSC000200649 [0,0,0,1,0,0|1,0,0]=2 26 B12R1.8 OCCOCCN1CCCCC1 CSC011409831 [0,0,0,1,0,0|2,0,0]=3 27 B12R1.8 OCCOCCN1CCOCC1 CSC011409812 [0,0,0,1,0,0|3,0,0]=4 28 B12R1.37 CCCCCCNC1CCCC1 CSC000201045 [0,0,0,1,0,0|2,0,0]=3 29 B12R1.121 CCC1CCCCN1CCCN CSC011191702 [0,0,0,1,0,0|2,0,0]=3 30 B12R1.169 COCC1CCCCN1CCO CSC010278134 [0,0,0,1,0,0|2,0,0]=3 31 B12R1.281 CCC1CCCCCN1CC#N CSC012139431 [0,0,0,1,0,0|2,0,1]=4 32 B12R1.281 CCC1CCCCCN1CCO CSC012621646 [0,0,0,1,0,0|1,0,0]=2 33 B12R1.1414 CCCCNC1CCCCCC1 CSC000200676 [0,0,0,1,0,0|2,0,0]=3 34 B12R1.1414 CNCCCN1CCCCCC1 CSC000231118 [0,0,0,1,0,0|3,0,0]=4 35 B12R1.1414 N#CCCCN1CCCCCC1 CSC000223730 [0,0,0,1,0,0|2,0,1]=4 36 B12R1.1414 OCCCCN1CCCCCC1 CSC011305542 [0,0,0,1,0,0|1,0,0]=2 37 B9R0.45 CCCCCCSCCO CSC011304839 [2,0,0,0,0,0|1,0,0]=3 38 B9R0.45 CCCCSCCOCC CSC000053094 [2,0,0,0,0,0|2,0,0]=4 39 B9R0.45 CCSCCCCSCC CSC000116838 [2,0,0,0,0,0|2,0,0]=4 40 B9R0.45 CSCCCCCCSC CSC000036278 [2,0,0,0,0,0|2,0,0]=4 41 B11R0.4 CCCCCCOC(=O)CCC CSC000037829 [1,1,0,0,0,0|1,0,1]=4 42 B11R0.40 CCCCCCCCC(=O)OC CSC011215467 [1,1,0,0,0,0|1,0,1]=4 43 B11R0.40 CCCCCCCOC(=O)CC CSC000054044 [1,1,0,0,0,0|1,0,1]=4 44 B11R0.81 CCCCCCC(C)NCCO CSC011257444 [1,1,0,0,0,0|1,0,0]=3 45 B11R0.81 CCCCCOC(=O)CCCC CSC000033676 [1,1,0,0,0,0|1,0,1]=4 46 B11R0.140 CCCCCC(=O)OCCCC CSC011212308 [1,1,0,0,0,0|1,0,1]=4 47 B11R0.148 CCCCCCCCCC(=O)N CSC011216713 [1,1,0,0,0,0|0,0,2]=4 48 B13R0.2 CCCCCCCCCC(=O)OCC CSC011217761 [0,2,0,0,0,0|1,0,1]=4 49 B13R0.2 CCCCCCCCOC(=O)CCC CSC000047179 [0,2,0,0,0,0|1,0,1]=4 50 B13R0.66 CCCCC(C)NCCOCCOC CSC011557212 [0,2,0,0,0,0|2,0,0]=4 51 B13R0.66 CCCCCCCCS(=O)CCCO CSC010167664 [0,2,0,0,0,0|0,0,0]=2 52 B13R0.66 CCCCOCCNC(C)CCCC CSC011426113 [0,2,0,0,0,0|2,0,0]=4 53 B13R0.1338 CCCCCCCCS(=O)(=O)CCO CSC010286055 [0,2,0,0,0,0|1,0,0]=3 54 B13R0.54 CCCCCCCCCCNC(=O)N CSC012710775 [0,2,0,0,0,0|0,0,2]=4 55 B13R0.54 CCCCCCCCCCOC(=O)C CSC000031374 [0,2,0,0,0,0|0,0,2]=4 56 B13R0.54 CCCCCCCCSCCC(=O)N CSC010587829 [0,2,0,0,0,0|0,0,2]=4 57 B13R0.147 CCC(C)CNCCCOCCOC CSC011235363 [0,2,0,0,0,0|2,0,0]=4 58 B13R0.147 CCCCCCCCCCC(=O)NN CSC000048412 [0,2,0,0,0,0|0,0,2]=4 59 B13R0.147 CCCCCCCCCCC(=O)OC CSC011215520 [0,2,0,0,0,0|0,0,1]=3 60 B13R0.338 CCCCCCOC(=O)CCCCC CSC000038516 [0,2,0,0,0,0|1,0,1]=4 61 B13R0.1 CC(C)CCCC(C)NCCCCO CSC011521380 [0,2,0,0,0,0|1,0,0]=3 62 B13R0.154 CC(C)CCC(C)NCCCCCO CSC011950040 [0,2,0,0,0,0|1,0,0]=3 63 B13R0.154 CCCCCCCC(=O)OCC(C)O CSC010286083 [0,2,0,0,0,0|1,0,1]=4 64 B13R0.150 CCCCCCCCNC(=O)C(C)O CSC009992393 [0,2,0,0,0,0|1,0,1]=4 65 B11R1.5 CCCN1CCSCCC1C CSC046126505 [1,0,0,1,0,0|2,0,0]=4 66 B11R1.17 CC1CCCCC1NCCF CSC012814110 [1,0,0,1,0,0|2,0,0]=4 67 B11R1.17 CC1CCCCN1CCCF CSC016198936 [1,0,0,1,0,0|2,0,0]=4 68 B11R1.17 CC1CCCCN1CCCN CSC000212276 [1,0,0,1,0,0|2,0,0]=4 69 B11R1.17 CC1CCCCN1CCCO CSC000213889 [1,0,0,1,0,0|1,0,0]=3 70 B11R1.17 CCCCN1CCOC[C@@H]1C CSC046332471 [1,0,0,1,0,0|2,0,0]=4 71 B11R1.17 CCCCN1CCOC[C@H]1C CSC015850260 [1,0,0,1,0,0|2,0,0]=4 72 B11R1.17 COCCN1CCCCC1C CSC046181585 [1,0,0,1,0,0|2,0,0]=4 73 B11R1.17 CSCCC1CCCCN1C CSC015239825 [1,0,0,1,0,0|2,0,0]=4 74 B11R1.17 CSCCN1CCCCC1C CSC046128381 [1,0,0,1,0,0|2,0,0]=4 75 B11R1.28 CCCCCN1CCNCC1 CSC011207891 [1,0,0,1,0,0|2,0,0]=4 76 B11R1.28 CNCCCN1CCCCC1 CSC000232496 [1,0,0,1,0,0|2,0,0]=4 77 B11R1.28 CNCCNC1CCCCC1 CSC011419825 [1,0,0,1,0,0|2,0,0]=4 78 B11R1.28 NCCCNC1CCCCC1 CSC000211309 [1,0,0,1,0,0|2,0,0]=4 79 B11R1.28 OCCCCN1CCCCC1 CSC011305566 [1,0,0,1,0,0|1,0,0]=3 80 B11R1.28 OCCCCN1CCOCC1 CSC000723369 [1,0,0,1,0,0|2,0,0]=4 81 B11R1.41 CCC1CCCCN1CCN CSC000755458 [1,0,0,1,0,0|2,0,0]=4 82 B11R1.41 CCCN1CCOCC1CC CSC047969828 [1,0,0,1,0,0|2,0,0]=4 83 B11R1.41 CCN1CCCCC1CCO CSC000228433 [1,0,0,1,0,0|1,0,0]=3 84 B11R1.109 COCC1CCCN1CCO CSC021656350 [1,0,0,1,0,0|2,0,0]=4 85 B11R1.203 CCCCN1CCCNCC1 CSC011194251 [1,0,0,1,0,0|2,0,0]=4 86 B11R1.203 CCCNC1CCCCCC1 CSC000201645 [1,0,0,1,0,0|1,0,0]=3 87 B11R1.203 COCCN1CCCCCC1 CSC000234625 [1,0,0,1,0,0|2,0,0]=4 88 B11R1.203 COCCN1CCCCCC1 CSC000234625 [1,0,0,1,0,0|2,0,0]=4 89 B11R1.203 CSCCN1CCCCCC1 CSC000209152 [1,0,0,1,0,0|2,0,0]=4 90 B11R1.203 FCCCN1CCCCCC1 CSC012895120 [1,0,0,1,0,0|2,0,0]=4 91 B11R1.203 FCCNC1CCCCCC1 CSC012814174 [1,0,0,1,0,0|2,0,0]=4 92 B11R1.203 NCCCN1CCCCCC1 CSC000181460 [1,0,0,1,0,0|2,0,0]=4 93 B11R1.203 OCCCN1CCCCCC1 CSC000212468 [1,0,0,1,0,0|1,0,0]=3 94 B11R1.203 OCCCN1CCCOCC1 CSC011599119 [1,0,0,1,0,0|2,0,0]=4 95 B13R1.42 CCCC(C)NCC1CCCCC1 CSC000202000 [0,1,0,1,0,0|2,0,0]=4 96 B13R1.119 OCCCSCCNC1CCCC1 CSC011876039 [0,1,0,1,0,0|1,0,0]=3 97 B13R1.28 CCCCCCCN1CCNCC1 CSC011216598 [0,1,0,1,0,0|2,0,0]=4 98 B13R1.28 CCCCCCNC1CCCCC1 CSC000201049 [0,1,0,1,0,0|1,0,0]=3 99 B13R1.28 CCCCCNCC1CCCCC1 CSC000186177 [0,1,0,1,0,0|1,0,0]=3 100 B13R1.28 CNCCCNCC1CCCCC1 CSC013339111 [0,1,0,1,0,0|2,0,0]=4 101 B13R1.28 COCCCNCC1CCCCC1 CSC000200597 [0,1,0,1,0,0|1,0,0]=3 102 B13R1.28 CSCCCNCC1CCCCC1 CSC000207483 [0,1,0,1,0,0|1,1,0]=4 103 B13R1.28 OCCCCNCC1CCCCC1 CSC011521276 [0,1,0,1,0,0|0,0,0]=2 104 B13R1.28 OCCOCCNC1CCCCC1 CSC000202238 [0,1,0,1,0,0|1,0,0]=3 105 B13R1.84 CCCCNC1CCCCC1OC CSC011340088 [0,1,0,1,0,0|1,0,0]=3 106 B13R1.84 CCSCCN1CCCCC1CN CSC012934839 [0,1,0,1,0,0|2,0,0]=4 107 B13R1.555 CSCCCNC1CCCCC1C CSC000207834 [0,1,0,1,0,0|1,1,0]=4 108 B13R1.1150 COCCNC1CCCCCCC1 CSC000200140 [0,1,0,1,0,0|1,0,0]=3 109 B13R1.1887 CSCCCNC1CCCCCC1 CSC000207776 [0,1,0,1,0,0|1,1,0]=4 110 B13R1.24 CN(CCCCO)C1CCCCC1 CSC011305552 [0,1,0,1,0,0|1,0,0]=3 111 B13R1.24 OCCCNC(=O)C1CCCCC1 CSC000191951 [0,1,0,1,0,0|1,0,1]=4 112 B13R1.1604 CC1CCCC(N(C1)CCCN)C CSC029850502 [0,1,0,1,0,0|2,0,0]=4 113 B13R1.1604 CC1CCCC(N(C1)CCCO)C CSC016092432 [0,1,0,1,0,0|1,0,0]=3 114 B13R1.90 CCC1CCCCN1CCC(=O)O CSC015187846 [0,1,0,1,0,0|1,0,1]=4 115 B13R1.280 CC(C)CNC1CCCCCC1N CSC047284023 [0,1,0,1,0,0|2,0,0]=4 116 B13R1.280 CC(C)CN[C@@H]1CCCCC[C@H]1O CSC015212679 [0,1,0,1,0,0|1,0,0]=3 117 B13R1.337 CC(C)CCNCC1CCCCC1 CSC000200859 [0,1,0,1,0,0|2,0,0]=4 118 B13R1.380 CC(C)CN1CCCCC1CCN CSC011919211 [0,1,0,1,0,0|2,0,0]=4 119 B13R1.380 CC(N)CN1CCSCC1CCO CSC056768489 [0,1,0,1,0,0|2,0,0]=4 120 B13R1.610 CCC1CCCCCN1CC(C)O CSC013391067 [0,1,0,1,0,0|1,0,0]=3 121 B13R1.610 CCC1CCCCCN1C[C@H](C)O CSC013391117 [0,1,0,1,0,0|1,0,0]=3 122 B13R1.610 CCN1CCCCCC1CC(C)O CSC013644422 [0,1,0,1,0,0|1,0,0]=3 123 B13R1.1022 OC(=O)CCN1CCCCCCC1 CSC015187237 [0,1,0,1,0,0|1,0,1]=4 124 B13R1.9 CCCCCCN1CCC(CC1)C CSC000021024 [0,1,0,1,0,0|2,0,0]=4 125 B13R2.64 C1CCC(C1)NC2CCCCC2 CSC000200360 [0,0,0,2,0,0|2,0,0]=4 126 B13R2.2383 C(SC1CCC1)C2CCCCO2 CSC047870689 [0,0,0,2,0,0|1,0,0]=3 127 B13R2.29 CC1CCCC1NC2CCCC2 CSC000710421 [0,0,0,2,0,0|2,0,0]=4 128 B13R2.39 CCCNC1CCC12CCCC2 CSC015246577 [0,0,0,2,0,0|2,0,0]=4 129 B13R2.39 FCCNC1CCC12CCCC2 CSC015951091 [0,0,0,2,0,0|2,0,0]=4 130 B13R2.62 CCC1CCC1NC2CCCC2 CSC015402838 [0,0,0,2,0,0|2,0,0]=4 131 B13R2.183 C(NC1CCCC1)C2CCCS2 CSC012018279 [0,0,0,2,0,0|1,1,0]=4 132 B13R2.183 C(SC1CCCC1)C2CCCO2 CSC016129875 [0,0,0,2,0,0|1,0,0]=3 133 B13R2.468 FCCCN1CCC2C1CCC2 CSC015437585 [0,0,0,2,0,0|2,0,0]=4 134 B13R2.1680 CCC1CCCC1NC2CCC2 CSC013185581 [0,0,0,2,0,0|2,0,0]=4 135 B13R2.489 FCCCN1C2CCC1CCC2 CSC015285616 [0,0,0,2,0,0|2,0,0]=4 136 B13R2.5225 CC1CCCCC1NC2CCC2 CSC000715991 [0,0,0,2,0,0|2,0,0]=4 137 B13R2.1261 CCCNC1CCCC12CCC2 CSC015596272 [0,0,0,2,0,0|2,0,0]=4 138 B13R2.1261 FCCNC1CCCC12CCC2 CSC015783401 [0,0,0,2,0,0|2,0,0]=4 139 B13R2.6840 C1CC(C1)NC2CCCCCC2 CSC011550381 [0,0,0,2,0,0|2,0,0]=4