0 B12R0.5 CCCCCCCCCSCCO CSC011304840 [0,0,0,0,0,0|1,1,0]=2 1 B12R0.5 CCCCCCCCSCCC#N CSC009848894 [0,0,0,0,0,0|2,0,1]=3 2 B12R0.5 CCCCCCSCCOCCO CSC019110770 [0,0,0,0,0,0|2,1,0]=3 3 B11R0.3 CCCCCSCCOCCO CSC011997630 [1,0,0,0,0,0|2,1,0]=4 4 B11R0.3 CCCSCCCCSCCC CSC009990883 [1,0,0,0,0,0|2,0,0]=3 5 B13R0.2 CCCCCCCCCC(=O)OCC CSC011217761 [0,1,0,0,0,0|2,0,1]=4 6 B13R0.2 CCCCCCCCOC(=O)CCC CSC000047179 [0,1,0,0,0,0|2,0,1]=4 7 B13R0.54 CCCCCCCCCCNC(=O)N CSC012710775 [0,1,0,0,0,0|1,1,1]=4 8 B13R0.54 CCCCCCCCCCOC(=O)C CSC000031374 [0,1,0,0,0,0|1,1,1]=4 9 B13R0.54 CCCCCCCCSCCC(=O)N CSC010587829 [0,1,0,0,0,0|1,1,1]=4 10 B13R0.66 CCCCCCCCS(=O)CCCO CSC010167664 [0,1,0,0,0,0|1,1,0]=3 11 B13R0.66 CCCCOCCNC(C)CCCC CSC011426113 [0,1,0,0,0,0|3,0,0]=4 12 B13R0.147 CCCCCCCCCCC(=O)NN CSC000048412 [0,1,0,0,0,0|2,0,1]=4 13 B13R0.147 CCCCCCCCCCC(=O)OC CSC011215520 [0,1,0,0,0,0|2,0,1]=4 14 B13R0.338 CCCCCCOC(=O)CCCCC CSC000038516 [0,1,0,0,0,0|2,0,1]=4 15 B13R1.28 CCCCCCCN1CCNCC1 CSC011216598 [0,0,0,1,0,0|3,0,0]=4 16 B13R1.28 CCCCCCNC1CCCCC1 CSC000201049 [0,0,0,1,0,0|2,0,0]=3 17 B13R1.28 CCCCCNCC1CCCCC1 CSC000186177 [0,0,0,1,0,0|2,0,0]=3 18 B13R1.28 CNCCCNCC1CCCCC1 CSC013339111 [0,0,0,1,0,0|3,0,0]=4 19 B13R1.28 COCCCNCC1CCCCC1 CSC000200597 [0,0,0,1,0,0|3,0,0]=4 20 B13R1.28 CSCCCNCC1CCCCC1 CSC000207483 [0,0,0,1,0,0|3,0,0]=4 21 B13R1.28 OCCCCNCC1CCCCC1 CSC011521276 [0,0,0,1,0,0|1,1,0]=3 22 B13R1.28 OCCOCCNC1CCCCC1 CSC000202238 [0,0,0,1,0,0|2,1,0]=4 23 B13R1.84 CCCCNC1CCCCC1OC CSC011340088 [0,0,0,1,0,0|3,0,0]=4 24 B13R1.84 CCSCCN1CCCCC1CN CSC012934839 [0,0,0,1,0,0|3,0,0]=4 25 B13R1.119 OCCCSCCNC1CCCC1 CSC011876039 [0,0,0,1,0,0|2,1,0]=4 26 B13R1.555 CSCCCNC1CCCCC1C CSC000207834 [0,0,0,1,0,0|3,0,0]=4 27 B13R1.1150 COCCNC1CCCCCCC1 CSC000200140 [0,0,0,1,0,0|3,0,0]=4 28 B13R1.1887 CSCCCNC1CCCCCC1 CSC000207776 [0,0,0,1,0,0|3,0,0]=4 29 B10R0.71 CCCCCCCSCCO CSC011304838 [2,0,0,0,0,0|1,1,0]=4 30 B12R0.1 CCCCCCCCC(=O)OCC CSC011218606 [1,1,0,0,0,0|1,0,1]=4 31 B12R0.1 CCCCCCCCS(=O)CCO CSC009995003 [1,1,0,0,0,0|1,1,0]=4 32 B12R0.47 CCCCCOC(=O)CCCCC CSC000039363 [1,1,0,0,0,0|1,0,1]=4 33 B12R0.206 CCCCCCCC(C)NCCO CSC000713784 [1,1,0,0,0,0|1,1,0]=4 34 B12R0.234 CCCCCCCCCOC(=O)C CSC000210669 [1,1,0,0,0,0|1,0,1]=4 35 B12R0.248 CCCCCCCCCC(=O)OC CSC011215519 [1,1,0,0,0,0|1,0,1]=4 36 B12R0.248 CCCCCCCCOC(=O)CC CSC000054043 [1,1,0,0,0,0|1,0,1]=4 37 B14R0.493 CCCCCCCCCC(=O)NCCO CSC011221072 [0,2,0,0,0,0|0,1,1]=4 38 B14R0.493 CCCCCCCCNC(=O)CCCC CSC010535684 [0,2,0,0,0,0|1,0,1]=4 39 B14R0.2 CC(C)CCCC(C)NCCCCCO CSC011629762 [0,2,0,0,0,0|1,1,0]=4 40 B14R0.2489 CCCCCCCCS(=O)(=O)CCCO CSC030155169 [0,2,0,0,0,0|1,1,0]=4 41 B12R1.8 CCCCCCN1CCNCC1 CSC011219892 [1,0,0,1,0,0|2,0,0]=4 42 B12R1.8 CCCCCCN1CCOCC1 CSC000224586 [1,0,0,1,0,0|2,0,0]=4 43 B12R1.8 CCCCNCC1CCCCC1 CSC000200713 [1,0,0,1,0,0|1,0,0]=3 44 B12R1.8 CCNCCNC1CCCCC1 CSC011556061 [1,0,0,1,0,0|2,0,0]=4 45 B12R1.8 COCCNCC1CCCCC1 CSC000200166 [1,0,0,1,0,0|2,0,0]=4 46 B12R1.8 OCCCCNC1CCCCC1 CSC000186385 [1,0,0,1,0,0|1,1,0]=4 47 B12R1.8 OCCCNCC1CCCCC1 CSC000200649 [1,0,0,1,0,0|1,1,0]=4 48 B12R1.37 CCCCCCNC1CCCC1 CSC000201045 [1,0,0,1,0,0|1,0,0]=3 49 B12R1.121 CCC1CCCCN1CCCN CSC011191702 [1,0,0,1,0,0|2,0,0]=4 50 B12R1.281 CCC1CCCCCN1CCO CSC012621646 [1,0,0,1,0,0|1,1,0]=4 51 B12R1.1414 CCCCNC1CCCCCC1 CSC000200676 [1,0,0,1,0,0|1,0,0]=3 52 B12R1.1414 CNCCCN1CCCCCC1 CSC000231118 [1,0,0,1,0,0|2,0,0]=4 53 B12R1.1414 OCCCCN1CCCCCC1 CSC011305542 [1,0,0,1,0,0|1,1,0]=4 54 B14R1.40 CCCCOCCCNC1CCSC1 CSC000202137 [0,1,0,1,0,0|2,0,0]=4 55 B14R1.329 CC(O)CCNC1CCCCCC1N CSC059985123 [0,1,0,1,0,0|2,0,0]=4 56 B14R1.123 CCCCCCCCN1CCNCC1 CSC011216280 [0,1,0,1,0,0|2,0,0]=4 57 B14R1.123 CCCCCCCCN1CCOCC1 CSC011995786 [0,1,0,1,0,0|2,0,0]=4 58 B14R1.123 CCCCCCCNC1CCCCC1 CSC000202302 [0,1,0,1,0,0|1,0,0]=3 59 B14R1.123 CCOCCCNCC1CCCCC1 CSC000201939 [0,1,0,1,0,0|2,0,0]=4 60 B14R1.123 OCCCCCNCC1CCCCC1 CSC011629680 [0,1,0,1,0,0|0,1,0]=3 61 B14R1.123 OCCOCCNCC1CCCCC1 CSC000202252 [0,1,0,1,0,0|1,1,0]=4 62 B14R1.882 CC1CCCCC1NCCOCCO CSC000202249 [0,1,0,1,0,0|1,1,0]=4 63 B14R1.882 CSCCCNCC1CCCCC1C CSC011512439 [0,1,0,1,0,0|1,0,0]=3 64 B14R1.709 CC[C@H](O)CNC1CCCCCC1N CSC060605660 [0,1,0,1,0,0|2,0,0]=4 65 B14R1.837 CC1CCCCC1CNCC(O)CO CSC013117322 [0,1,0,1,0,0|1,1,0]=4 66 B14R1.1586 OCC(O)CNCC1CCCCCC1 CSC012430113 [0,1,0,1,0,0|1,1,0]=4 67 B14R1.476 CCC1CCCCN1CCOCCN CSC012362157 [0,1,0,1,0,0|2,0,0]=4 68 B14R1.476 CCC1CCCCN1CCOCCO CSC011409843 [0,1,0,1,0,0|1,1,0]=4 69 B14R1.476 CCOCCNC1CCCCC1CN CSC012366912 [0,1,0,1,0,0|2,0,0]=4 70 B14R1.904 CCOCCN1CCCCC1CCN CSC011919235 [0,1,0,1,0,0|2,0,0]=4 71 B14R1.904 CCSCCN1CCCCC1CCN CSC013453973 [0,1,0,1,0,0|2,0,0]=4 72 B14R1.158 CCCCCC(C)NC1CCCCC1 CSC000201819 [0,1,0,1,0,0|2,0,0]=4 73 B14R2.3 FCCCN1CC[C@H]2[C@@H]1CCCC2 [0,0,0,2,0,0|2,0,0]=4 74 B14R2.6 C(C1CCCCC1)N2CCCCC2 CSC000223660 [0,0,0,2,0,0|2,0,0]=4 75 B14R2.6 C(C1CCCCO1)N2CCCCC2 CSC000209111 [0,0,0,2,0,0|1,1,0]=4 76 B14R2.30 CC1CCCN1CC2CCCCO2 CSC049108080 [0,0,0,2,0,0|1,1,0]=4 77 B14R2.58 OCCN1CCCC12CCCCC2 CSC015515010 [0,0,0,2,0,0|1,1,0]=4 78 B14R2.101 C(NC1CCCC1)C2CCCCC2 CSC000200917 [0,0,0,2,0,0|2,0,0]=4 79 B14R2.101 C(NC1CCCC1)C2CCCCS2 CSC012790311 [0,0,0,2,0,0|1,0,0]=3 80 B14R2.101 C(NC1CCCCC1)C2CCCN2 CSC011419815 [0,0,0,2,0,0|2,0,0]=4 81 B14R2.101 C(NC1CCCCC1)C2CCCO2 CSC000200407 [0,0,0,2,0,0|1,1,0]=4 82 B14R2.101 C(NC1CCCCC1)C2CCCS2 CSC012018281 [0,0,0,2,0,0|1,0,0]=3 83 B14R2.101 C(NC1CCCCC1)[C@H]2CCCO2 CSC013424667 [0,0,0,2,0,0|1,1,0]=4 84 B14R2.101 C(NC1CCNC1)C2CCCCS2 CSC012790910 [0,0,0,2,0,0|2,0,0]=4 85 B14R2.101 C(NC1CCSC1)C2CCCCS2 CSC012790797 [0,0,0,2,0,0|2,0,0]=4 86 B14R2.1914 NCC1CCCCN1CC2CCC2 CSC012288738 [0,0,0,2,0,0|2,0,0]=4 87 B14R2.1914 OCC1CCCCN1CC2CCC2 CSC012289560 [0,0,0,2,0,0|1,1,0]=4 88 B14R2.50 CC1CCCCN1CC2CCCO2 CSC046268561 [0,0,0,2,0,0|1,1,0]=4 89 B14R2.50 F[C@H]1CCCC[C@@H]1NC2CCCC2 [0,0,0,2,0,0|2,0,0]=4 90 B14R2.75 FCCNC1CCCC12CCCC2 CSC015291270 [0,0,0,2,0,0|2,0,0]=4 91 B14R2.83 CCC1CCCN1CC2CCCO2 CSC046698876 [0,0,0,2,0,0|1,1,0]=4 92 B14R2.83 NCC1CCCN1CC2CCCC2 CSC011346110 [0,0,0,2,0,0|2,0,0]=4 93 B14R2.83 OCC1CCCN1CC2CCCC2 CSC011590269 [0,0,0,2,0,0|1,1,0]=4 94 B14R2.83 OC[C@H]1CCCN1CC2CCCC2 CSC011742810 [0,0,0,2,0,0|1,1,0]=4 95 B14R2.245 CCCN1CCCC1C2CCCO2 CSC015265084 [0,0,0,2,0,0|1,1,0]=4 96 B14R2.245 NCCN1CCCC1C2CCCC2 CSC011566322 [0,0,0,2,0,0|2,0,0]=4 97 B14R2.245 OCCN1CCCC1C2CCCC2 CSC011566795 [0,0,0,2,0,0|1,1,0]=4 98 B14R2.892 FCCCN1CCCC2C1CCC2 CSC016202859 [0,0,0,2,0,0|2,0,0]=4 99 B14R2.2840 C(C1CCCO1)N2CCCCCC2 CSC000209150 [0,0,0,2,0,0|1,1,0]=4 100 B14R2.67 FCCCN1CC2CCCCC2C1 CSC015257881 [0,0,0,2,0,0|2,0,0]=4 101 B14R2.67 FCCCN1C[C@H]2CCCC[C@H]2C1 [0,0,0,2,0,0|2,0,0]=4