0 B13R0.306 CCCCC(CC)COCC(O)CCl MCULE-9413065532 [0,0,0,0,0,0|1,0,0]=1 1 B13R0.306 CCCCC(CC)COCC(O)CN MCULE-4320300918 [0,0,0,0,0,0|1,0,0]=1 2 B13R0.306 CCCCC(CC)COCC(O)CO MCULE-4219186889 [0,0,0,0,0,0|0,0,0]=0 3 B12R0.111 CCCCC(CC)COCCCN MCULE-9734628998 [1,0,0,0,0,0|1,0,0]=2 4 B12R0.111 CCCCCCC(CBr)CCCC MCULE-7835474539 [1,0,0,0,0,0|3,0,0]=4 5 B12R0.111 CCCCCCC(CN)CCCC MCULE-6128760964 [1,0,0,0,0,0|3,0,0]=4 6 B12R0.111 CCCCCCC(CO)CCCC MCULE-4486658642 [1,0,0,0,0,0|3,0,0]=4 7 B12R0.111 CCCCOCC(CC)CCCC MCULE-4658312658 [1,0,0,0,0,0|1,0,0]=2 8 B12R0.254 CCCCC(CC)COCC(=O)O MCULE-3191470354 [1,0,0,0,0,0|0,0,2]=3 9 B12R0.254 CCCCC(CC)COCC(=O)[O-] MCULE-9011234560 [1,0,0,0,0,0|0,0,3]=4 10 B14R0.2166 CCCCC(CC)COCC(CC)CC MCULE-6323782668 [0,1,0,0,0,0|2,0,0]=3 11 B14R1.13 CC1CCC(CC1)CNCC(O)CO MCULE-8178863290 [0,0,0,1,0,0|1,0,0]=2 12 B12R0.216 CCCCC(CC)CCC(O)CC MCULE-1016745877 [0,0,0,0,1,0|1,0,0]=2 13 B12R0.216 CCCCC(CC)COC(=O)CC MCULE-4200366674 [0,0,0,0,1,0|1,0,2]=4 14 B12R0.216 CCCCC(CC)COC(=O)CCl MCULE-8449137155 [0,0,0,0,1,0|1,0,2]=4 15 B12R0.216 CCCCC(CC)COC(=O)CS MCULE-8294714921 [0,0,0,0,1,0|0,1,2]=4 16 B11R0.40 CCCCCCCCC(C)CO MCULE-6530142953 [2,0,0,0,0,0|2,0,0]=4 17 B11R0.40 CCCCCCCCC(N)CO MCULE-3838512887 [2,0,0,0,0,0|2,0,0]=4 18 B11R0.40 CCCCCCCCC(O)CC MCULE-7447063642 [2,0,0,0,0,0|2,0,0]=4 19 B11R0.40 CCCCCCCCC(O)CN MCULE-1386452336 [2,0,0,0,0,0|2,0,0]=4 20 B11R0.40 CCCCCCCCC(O)CO MCULE-4401791520 [2,0,0,0,0,0|1,0,0]=3 21 B11R0.40 CCCCCCCCC([NH3+])CO MCULE-9745638839 [2,0,0,0,0,0|2,0,0]=4 22 B11R0.40 CCCCCCCC[C@@H](O)CO MCULE-3097644735 [2,0,0,0,0,0|1,0,0]=3 23 B11R0.40 CCCCCCCC[C@@H](O)CO MCULE-9306542938 [2,0,0,0,0,0|1,0,0]=3 24 B11R0.40 CCCCCCOCC(O)CCl MCULE-9400857337 [2,0,0,0,0,0|1,0,0]=3 25 B11R0.40 CCCCCCOCC(O)CO MCULE-6836288154 [2,0,0,0,0,0|0,0,0]=2 26 B11R0.40 OCCCCCCCC(O)CO MCULE-9195681013 [2,0,0,0,0,0|2,0,0]=4 27 B11R0.152 CCCCC(CC)CCCCBr MCULE-7314985380 [2,0,0,0,0,0|1,0,0]=3 28 B11R0.152 CCCCC(CC)CCCNC MCULE-9665724187 [2,0,0,0,0,0|2,0,0]=4 29 B11R0.152 CCCCC(CC)COCCCl MCULE-9641158454 [2,0,0,0,0,0|1,0,0]=3 30 B11R0.152 CCCCC(CC)COCCO MCULE-4539904129 [2,0,0,0,0,0|0,0,0]=2 31 B13R0.279 CCCCCCC(CCBr)CCCC MCULE-1367452867 [1,1,0,0,0,0|2,0,0]=4 32 B13R0.279 CCCCCCC(CCI)CCCC MCULE-8229617601 [1,1,0,0,0,0|2,0,0]=4 33 B13R0.300 CCCCC(CC)COCCN(C)C MCULE-7103919773 [1,1,0,0,0,0|2,0,0]=4 34 B13R0.305 CCCCC(CC)COC(=O)CCC MCULE-9542351471 [1,1,0,0,0,0|1,0,1]=4 35 B13R0.305 CCCCC(CC)COC(=O)CCS MCULE-1771872284 [1,1,0,0,0,0|0,1,1]=4 36 B13R0.1281 CCCCOC(=O)C(CC)CCCC MCULE-3634959067 [1,1,0,0,0,0|1,0,1]=4 37 B13R0.378 CCCCC(CC)C(=O)OCC(C)C MCULE-6481144291 [1,1,0,0,0,0|1,0,1]=4 38 B13R0.378 CCCCC(CC)C(=O)OCC(C)O MCULE-9664039557 [1,1,0,0,0,0|0,0,1]=3 39 B13R0.1188 CCCC[C@H](CC)COC(=O)C(C)O MCULE-7289267719 [1,1,0,0,0,0|0,0,1]=3 40 B15R0.339 CCCCC(CC)COCC(O)CN(C)C MCULE-3909126217 [0,2,0,0,0,0|1,0,0]=3 41 B13R1.1197 CCCCC(CC)COCC1CO1 MCULE-4814151636 [1,0,0,1,0,0|0,0,0]=2 42 B13R1.25 CCCCC(CC)C1OCC(O1)C MCULE-2110412519 [1,0,0,1,0,0|0,0,0]=2 43 B13R1.90 CCC1CCCCC1OCC(=O)O MCULE-4174544329 [1,0,0,1,0,0|0,0,2]=4 44 B15R1.59 C1(CCC(CC1)C(CO)CO)CCCC MCULE-1715491212 [0,1,0,1,0,0|1,0,0]=3 45 B11R0.164 C=C(C)CCC(CC)CCCC MCULE-9594149600 [1,0,0,0,1,0|1,0,1]=4 46 B11R0.164 CCCCC(CC)CCC(=O)O MCULE-2748338407 [1,0,0,0,1,0|0,0,2]=4 47 B11R0.164 CCCCC(CC)COC(=O)C MCULE-1515060609 [1,0,0,0,1,0|0,0,2]=4 48 B11R0.166 CCCCC(CC)CC(O)CC MCULE-3264294429 [0,0,0,0,2,0|1,0,0]=3