0 B12R0.5 CCCCCCCCCSCCO CSC011304840 [1,0,0,0,0,0|1,0,0]=2 1 B12R0.5 CCCCCCCCSCCC#N CSC009848894 [1,0,0,0,0,0|2,0,1]=4 2 B12R0.5 CCCCCCSCCOCCO CSC019110770 [1,0,0,0,0,0|2,0,0]=3 3 B14R0.493 CCCCCCCCCC(=O)NCCO CSC011221072 [0,1,0,0,0,0|2,0,1]=4 4 B14R1.123 CCCCCCCNC1CCCCC1 CSC000202302 [0,0,0,1,0,0|3,0,0]=4 5 B14R1.123 OCCCCCNCC1CCCCC1 CSC011629680 [0,0,0,1,0,0|2,0,0]=3 6 B14R1.123 OCCOCCNCC1CCCCC1 CSC000202252 [0,0,0,1,0,0|3,0,0]=4 7 B14R1.476 CCC1CCCCN1CCOCCO CSC011409843 [0,0,0,1,0,0|3,0,0]=4 8 B14R1.882 CC1CCCCC1NCCOCCO CSC000202249 [0,0,0,1,0,0|3,0,0]=4 9 B11R0.3 CCCCCSCCOCCO CSC011997630 [2,0,0,0,0,0|2,0,0]=4 10 B11R0.3 CCCSCCCCSCCC CSC009990883 [2,0,0,0,0,0|2,0,0]=4 11 B13R0.66 CCCCCCCCS(=O)CCCO CSC010167664 [1,1,0,0,0,0|1,0,0]=3 12 B13R1.28 CCCCCCNC1CCCCC1 CSC000201049 [1,0,0,1,0,0|2,0,0]=4 13 B13R1.28 CCCCCNCC1CCCCC1 CSC000186177 [1,0,0,1,0,0|2,0,0]=4 14 B13R1.28 OCCCCNCC1CCCCC1 CSC011521276 [1,0,0,1,0,0|1,0,0]=3 15 B13R1.28 OCCOCCNC1CCCCC1 CSC000202238 [1,0,0,1,0,0|2,0,0]=4 16 B13R1.119 OCCCSCCNC1CCCC1 CSC011876039 [1,0,0,1,0,0|2,0,0]=4 17 B15R1.12031 CCC1CCCC(C1)NCCCCCO CSC012142797 [0,1,0,1,0,0|2,0,0]=4 18 B15R1.6328 COCCCCCNC1CCCCCC1 CSC011601312 [0,1,0,1,0,0|2,0,0]=4 19 B15R1.6328 OCCCSCCNC1CCCCCC1 CSC011876038 [0,1,0,1,0,0|2,0,0]=4 20 B15R1.220 CC1CCCCC1CNCCCCCO CSC011629782 [0,1,0,1,0,0|1,0,0]=3 21 B15R1.220 CC1CCCCC1CNCCOCCO CSC011512480 [0,1,0,1,0,0|2,0,0]=4 22 B15R1.1251 CC(CCO)CNC1CCCCCC1N CSC059289025 [0,1,0,1,0,0|2,0,0]=4 23 B15R1.2461 CC(CCO)NCCC1CCCCCC1 CSC017057685 [0,1,0,1,0,0|2,0,0]=4 24 B15R2.106 OCCNC1CCCCC12CCCC2 CSC015097767 [0,0,0,2,0,0|2,0,0]=4 25 B15R2.123 CCC1CCCCN1CC2CCCO2 CSC046854753 [0,0,0,2,0,0|2,0,0]=4 26 B15R2.123 OCC1CCCCC1NC2CCCC2 CSC012896260 [0,0,0,2,0,0|2,0,0]=4 27 B15R2.123 OCC1CCCCN1CC2CCCC2 CSC011462740 [0,0,0,2,0,0|2,0,0]=4 28 B15R2.343 O[C@@H]1CCCCC[C@H]1NC2CCCC2 CSC015302338 [0,0,0,2,0,0|2,0,0]=4 29 B15R2.562 CC1CCCCN1CCC2CCCO2 CSC047269351 [0,0,0,2,0,0|2,0,0]=4 30 B15R2.562 O[C@@H]1CCCC[C@H]1CNC2CCCC2 CSC049078826 [0,0,0,2,0,0|2,0,0]=4 31 B15R2.2196 C(NCC1CCCCC1)C2CCCO2 CSC000186774 [0,0,0,2,0,0|2,0,0]=4 32 B15R2.3805 C(CN1CCCCCC1)C2CCCO2 CSC013921894 [0,0,0,2,0,0|2,0,0]=4 33 B15R2.3805 C(NC1CCCCCC1)C2CCCO2 CSC000200402 [0,0,0,2,0,0|2,0,0]=4 34 B15R2.3805 C(NC1CCCCCC1)[C@H]2CCCO2 CSC013424669 [0,0,0,2,0,0|2,0,0]=4 35 B15R2.118 CCC1CCCN1CC2CCCCO2 CSC047244777 [0,0,0,2,0,0|2,0,0]=4 36 B15R2.118 OCC1CCCN1CC2CCCCC2 CSC016124663 [0,0,0,2,0,0|2,0,0]=4 37 B15R2.118 OC[C@@H]1CCCN1CC2CCCCC2 CSC015629514 [0,0,0,2,0,0|2,0,0]=4 38 B15R2.118 OC[C@H]1CCCN1CC2CCCCC2 CSC015318859 [0,0,0,2,0,0|2,0,0]=4 39 B15R2.38 CC1CCCCN1CC2CCCCO2 CSC046219559 [0,0,0,2,0,0|2,0,0]=4 40 B15R2.38 O[C@@H]1CCCC[C@H]1NC2CCCCC2 CSC012280377 [0,0,0,2,0,0|2,0,0]=4 41 B15R2.38 O[C@H]1CCCC[C@@H]1NC2CCCCC2 CSC012279164 [0,0,0,2,0,0|2,0,0]=4 42 B15R2.55 OC1CCCC1CNC2CCCCC2 CSC012367699 [0,0,0,2,0,0|2,0,0]=4 43 B15R2.55 O[C@H]1CCC[C@@H]1NCC2CCCCC2 [0,0,0,2,0,0|2,0,0]=4 44 B15R2.72 OCCN1CCCC1C2CCCCC2 CSC023334173 [0,0,0,2,0,0|2,0,0]=4 45 B15R2.107 OCCCN1CCCC12CCCCC2 CSC010704208 [0,0,0,2,0,0|2,0,0]=4 46 B15R2.2167 C(C1CCCCO1)N2CCCCCC2 CSC000174452 [0,0,0,2,0,0|2,0,0]=4 47 B15R2.2195 C(NC1CCCCC1)C2CCCCO2 CSC000224239 [0,0,0,2,0,0|2,0,0]=4 48 B15R2.13884 O[C@H]1CCC[C@@H]1NC2CCCCCC2 [0,0,0,2,0,0|2,0,0]=4