0 B13R0.336 C=CCCCCCCCCCCC=C 4351AL [0,0,0,0,0,0|1,0,2]=3 1 B13R0.336 CCCCCCC#CCCCCCC 6897AL [0,0,0,0,0,0|1,0,3]=4 2 B13R0.336 CCCCCCCCCCCCC#N 9273AL [0,0,0,0,0,0|1,0,1]=2 3 B13R0.336 CCCCCCCCCCCCC=O 9272AL [0,0,0,0,0,0|0,0,0]=0 4 B13R0.336 CCCCCCCCCCCCNC 7567AH [0,0,0,0,0,0|2,0,0]=2 5 B13R0.336 CCCCCC\C=C\CCCCCC 6896AL [0,0,0,0,0,0|1,0,3]=4 6 B13R0.336 NCCCCCCCCCCCCO 4725AL [0,0,0,0,0,0|1,0,2]=3 7 B12R0.5 C=CCCCCCCCCCCC 4969AL [1,0,0,0,0,0|0,0,1]=2 8 B12R0.5 CCCCCCCCCCN=C=S 8249AD [1,0,0,0,0,0|1,1,1]=4 9 B12R0.5 CCCCCCCCC\C=C\CO 9203AL [1,0,0,0,0,0|0,0,3]=4 10 B12R0.5 NCCCCCCCCCCCN 5916AF [1,0,0,0,0,0|2,0,0]=3 11 B14R0.145 CCCCCCCC(O)CCCCCC 6895AL [0,1,0,0,0,0|1,0,1]=3 12 B14R0.337 CCCCCCCCCCCC(=O)CC 6163AL [0,1,0,0,0,0|1,0,2]=4 13 B14R0.337 CCCCCCCCCCCC(=O)NC 8601AL [0,1,0,0,0,0|2,0,1]=4 14 B14R0.392 CCCCCCCCCCCCCCC V0208 [0,1,0,0,0,0|1,0,1]=3 15 B14R0.392 CCCCCCCCCCCCCCF 8905AE [0,1,0,0,0,0|1,0,1]=3 16 B14R0.392 CCCCCCCCCCCCCCS 7741AJ [0,1,0,0,0,0|0,1,1]=3 17 B14R0.392 CCCCCCCCCCCCN=C=S 8396AC [0,1,0,0,0,0|0,1,1]=3 18 B14R0.392 OCCCCCCCCCCCCCBr 1555AL [0,1,0,0,0,0|0,0,2]=3 19 B14R0.392 OCCCCCCCCCCCCCO 6104AA [0,1,0,0,0,0|0,0,2]=3 20 B14R0.394 CCCCCCCCCCCCB(O)O X0697 [0,1,0,0,0,0|1,0,1]=3 21 B14R0.394 CCCCCCCCCCCCS(C)=O 1375AQ [0,1,0,0,0,0|1,0,0]=2 22 B14R0.394 CCCCCCCCCC\C=C\C(=O)O 5803AL [0,1,0,0,0,0|0,0,2]=3 23 B14R0.394 O=C(O)CCCCCCCCCCCO W6586 [0,1,0,0,0,0|1,0,0]=2 24 B14R1.62 CCCCCCCC1CCC\C1=N/O Y7744 [0,0,0,1,0,0|1,0,2]=4 25 B14R1.247 O=C1CCCCCCCCCCC1Cl 5570AL [0,0,0,1,0,0|1,0,0]=2 26 B14R1.4408 O=C1CCCCCCCCCCCO1 1382AQ [0,0,0,1,0,0|1,0,0]=2 27 B11R0.3 CCCCC#CCCCCCC 6768AL [2,0,0,0,0,0|0,0,2]=4 28 B11R0.3 CCCCCCCCCCC#N 5901AF [2,0,0,0,0,0|1,0,1]=4 29 B11R0.3 CCCCCCCCNCCN 5469AB [2,0,0,0,0,0|2,0,0]=4 30 B11R0.3 CCCCCCCCOCCO 4872AH [2,0,0,0,0,0|1,0,1]=4 31 B13R0.54 CCCCCCCCCCCC(C)N 3732AD [1,1,0,0,0,0|0,0,1]=3 32 B13R0.54 CCCCCCCCCCCC(C)O 5802AL [1,1,0,0,0,0|0,0,1]=3 33 B13R0.54 CCCCCCCCCCCC(N)=O 6046AF [1,1,0,0,0,0|0,0,0]=2 34 B13R0.54 CCCCCCCCC\C=C\C(=O)O 6027AF [1,1,0,0,0,0|0,0,2]=4 35 B13R0.147 COC(=O)CCCCCCCCC=O 8237AL [1,1,0,0,0,0|1,0,1]=4 36 B13R0.165 CCCCCCC(=O)CCCCCC 6055AH [1,1,0,0,0,0|0,0,2]=4 37 B15R0.133 CCCCCCCC(=O)CCCCCCC 2671AC [0,2,0,0,0,0|1,0,1]=4 38 B15R0.81 CCCCCCCCCCCCC(O)CO 0787AB [0,2,0,0,0,0|0,0,2]=4 39 B15R0.253 CCCCCCCCCCCC(OC)OC 8142AL [0,2,0,0,0,0|2,0,0]=4 40 B15R0.70 CCCCCCCCCCCCCCC#N 6301AF [0,2,0,0,0,0|1,0,1]=4 41 B15R0.70 CCCCCCCCCCCCCCC=O 8751AL [0,2,0,0,0,0|0,0,0]=2 42 B15R0.70 CCCCCCCCCCCCOCCO 5046AL [0,2,0,0,0,0|0,0,2]=4 43 B15R0.70 OCCCCCCCCCCCCCCBr 1333AC [0,2,0,0,0,0|0,0,2]=4 44 B15R0.164 CCCCCCCCCCCCOC(=O)Cl O682 [0,2,0,0,0,0|0,0,0]=2 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 B15R0.252 CCCCCCCCCCCCP(=O)(O)O 8538AL [0,2,0,0,0,0|1,0,0]=3 48 B15R0.252 CCCCCCCCCCCCS(=O)(=O)Cl 0394AA [0,2,0,0,0,0|1,0,0]=3 49 B13R1.654 CCCCCCCC1CCCC1=O 6542AA [1,0,0,1,0,0|0,0,0]=2 50 B15R1.2988 C1CCCCCCCCCCCCCC1 7524AL [0,1,0,1,0,0|1,0,1]=4 51 B15R1.3873 S=C=NC1CCCCCCCCCCC1 6296AE [0,1,0,1,0,0|0,1,1]=4 52 B15R2.18471 CCCCC1CCCC2CCCCC12 W9539 [0,0,0,2,0,0|1,0,1]=4