0 B13R0.54 CCCCCCCCCCCC(C)N 3732AD [0,0,0,0,0,0|2,0,1]=3 1 B13R0.54 CCCCCCCCCCCC(C)O 5802AL [0,0,0,0,0,0|1,0,1]=2 2 B13R0.54 CCCCCCCCCCCC(N)=O 6046AF [0,0,0,0,0,0|1,0,0]=1 3 B13R0.54 CCCCCCCCC\C=C\C(=O)O 6027AF [0,0,0,0,0,0|0,0,2]=2 4 B12R0.5 C=CCCCCCCCCCCC 4969AL [1,0,0,0,0,0|1,0,0]=2 5 B12R0.5 CCCCCCCCCCN=C=S 8249AD [1,0,0,0,0,0|1,1,1]=4 6 B12R0.5 CCCCCCCCC\C=C\CO 9203AL [1,0,0,0,0,0|0,0,3]=4 7 B12R0.5 NCCCCCCCCCCCN 5916AF [1,0,0,0,0,0|2,0,1]=4 8 B12R0.234 CCCCCCCCCCC(C)O 5599AL [1,0,0,0,0,0|1,0,1]=3 9 B12R0.234 CCCCCCCCCOC(C)=O 5905AF [1,0,0,0,0,0|2,0,0]=3 10 B12R0.234 CCCCCCCCOCC(=O)O 9714AB [1,0,0,0,0,0|1,0,0]=2 11 B14R0.68 CC(C)CCCCCCC\C=C\C(=O)O 1160AH [0,1,0,0,0,0|0,0,2]=3 12 B14R0.88 CCCCCCCCCCCS(=O)(=O)[O-] 8969AL [0,1,0,0,0,0|1,0,1]=3 13 B14R0.88 CCCCCCCCCCOS(=O)(=O)[O-] 7700AH [0,1,0,0,0,0|2,0,1]=4 14 B14R0.337 CCCCCCCCCCCC(=O)CC 6163AL [0,1,0,0,0,0|1,0,0]=2 15 B14R0.337 CCCCCCCCCCCC(=O)NC 8601AL [0,1,0,0,0,0|1,0,0]=2 16 B14R0.337 COC(=O)CCCCCCCCCCBr 8216AL [0,1,0,0,0,0|1,0,0]=2 17 B14R0.394 CCCCCCCCCCCCB(O)O X0697 [0,1,0,0,0,0|1,0,1]=3 18 B14R0.394 CCCCCCCCCCCCS(C)=O 1375AQ [0,1,0,0,0,0|2,0,0]=3 19 B14R0.394 CCCCCCCCCC\C=C\C(=O)O 5803AL [0,1,0,0,0,0|0,0,1]=2 20 B14R0.394 O=C(O)CCCCCCCCCCCO W6586 [0,1,0,0,0,0|0,0,0]=1 21 B14R1.4408 O=C1CCCCCCCCCCCO1 1382AQ [0,0,0,1,0,0|0,0,0]=1 22 B11R0.3 C#CCCCCCCCCCO E596 [2,0,0,0,0,0|0,0,2]=4 23 B11R0.3 CCCCCCCCCCC#N 5901AF [2,0,0,0,0,0|1,0,1]=4 24 B11R0.3 CCCCCCCCNCCN 5469AB [2,0,0,0,0,0|2,0,0]=4 25 B11R0.3 CCCCCCCCOCCO 4872AH [2,0,0,0,0,0|1,0,0]=3 26 B11R0.148 C=CCCCCCCCC(=O)O Z6188 [2,0,0,0,0,0|0,0,2]=4 27 B11R0.148 CCCCCCCCCC(C)O 5913AF [2,0,0,0,0,0|1,0,1]=4 28 B11R0.148 CCCCCCC\C=C\C(=O)O 4127AH [2,0,0,0,0,0|0,0,2]=4 29 B11R0.148 CCCCC\C=C\CCC(=O)O 6469AL [2,0,0,0,0,0|0,0,2]=4 30 B11R0.148 CCCCOCCOCC(=O)O 4029AL [2,0,0,0,0,0|2,0,0]=4 31 B11R0.148 O=C(O)CCCCCCCCBr Z4721 [2,0,0,0,0,0|1,0,0]=3 32 B13R0.147 COC(=O)CCCCCCCCC=O 8237AL [1,1,0,0,0,0|1,0,1]=4 33 B13R0.336 C=CCCCCCCCCCCC=C 4351AL [1,1,0,0,0,0|1,0,1]=4 34 B13R0.336 CCCCCCCCCCCCC#N 9273AL [1,1,0,0,0,0|1,0,1]=4 35 B13R0.336 CCCCCCCCCCCCC=O 9272AL [1,1,0,0,0,0|0,0,0]=2 36 B13R0.336 CCCCCCCCCCCCNC 7567AH [1,1,0,0,0,0|1,0,1]=4 37 B13R0.336 NCCCCCCCCCCCCO 4725AL [1,1,0,0,0,0|0,0,1]=3 38 B13R0.154 CCCCCCCC(=O)NCC(=O)O 9356AF [1,1,0,0,0,0|1,0,1]=4 39 B15R0.252 CCCCCCCCCCCCP(=O)(O)O 8538AL [0,2,0,0,0,0|1,0,0]=3 40 B15R0.252 CCCCCCCCCCCCS(=O)(=O)Cl 0394AA [0,2,0,0,0,0|1,0,1]=4 41 B15R0.81 CCCCCCCCCCCCC(O)CO 0787AB [0,2,0,0,0,0|0,0,2]=4 42 B15R0.253 CCCCCCCCCCCC(OC)OC 8142AL [0,2,0,0,0,0|0,0,2]=4 43 B15R0.366 CCOC(=O)CCCCCCCCCCBr 7843AL [0,2,0,0,0,0|1,0,0]=3 44 B15R0.164 CCCCCCCCCCCCOC(=O)Cl O682 [0,2,0,0,0,0|1,0,0]=3 45 B15R0.164 CCCCCCCCCCCSCC(=O)O 1392AH [0,2,0,0,0,0|0,0,0]=2 46 B15R0.164 CCCOCCCCCCCCCC(=O)O 1138AH [0,2,0,0,0,0|0,0,0]=2 47 B13R1.654 CCCCCCCC1CCCC1=O 6542AA [1,0,0,1,0,0|0,0,0]=2 48 B15R1.1239 CCCNC(=O)C1CCCCC1C(=O)O 5358AE [0,1,0,1,0,0|1,0,1]=4