0 B20R1.31096 O=C(O)CCCCCCCCCCCC[C@@H]1C=CCC1 MCULE-2611969931 [0,0,0,0,0,0|0,0,0]=0 1 B19R0.149 C#CCCCCCCCCCCCCCCCC(=O)O MCULE-7083652608 [0,0,1,0,0,0|0,0,2]=3 2 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)C MCULE-4728028088 [0,0,1,0,0,0|1,0,2]=4 3 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)Cl MCULE-2308152010 [0,0,1,0,0,0|1,0,2]=4 4 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)F MCULE-2181448420 [0,0,1,0,0,0|1,0,2]=4 5 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)N MCULE-4542342972 [0,0,1,0,0,0|1,0,2]=4 6 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O MCULE-5127577640 [0,0,1,0,0,0|0,0,2]=3 7 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-2987899692 [0,0,1,0,0,0|0,0,3]=4 8 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-3875570730 [0,0,1,0,0,0|0,0,3]=4 9 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-6249269089 [0,0,1,0,0,0|0,0,3]=4 10 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-6599303223 [0,0,1,0,0,0|0,0,3]=4 11 B19R0.149 CCCCCCCCCCCCSCCCCC(=O)O MCULE-8180884322 [0,0,1,0,0,0|1,0,2]=4 12 B19R0.149 CCCCCCCCSCCCCCCCCC(=O)O MCULE-1789714511 [0,0,1,0,0,0|1,0,2]=4 13 B19R0.149 N#N=NCCCCCCCCCCCCCCC(=O)O MCULE-9378247375 [0,0,1,0,0,0|3,0,0]=4 14 B19R0.149 O=C(O)CCCCCCCCCCCCCCCCBr MCULE-8185924357 [0,0,1,0,0,0|1,0,1]=3 15 B19R0.149 O=C(O)CCCCCCCCCCCCCCCCO MCULE-6787345030 [0,0,1,0,0,0|1,0,1]=3 16 B21R1.35032 O=C(O)CCCCCCCCCCCCC1=CC=CC=C1 MCULE-6461826716 [0,0,0,0,0,1|0,0,3]=4 17 B18R0.176 C=CCCCCCCCCCCCCCCC(=O)O MCULE-9537148876 [1,0,1,0,0,0|0,0,0]=2 18 B18R0.176 CCCCCCCCCCCCCCCCC(=O)Cl MCULE-4774205698 [1,0,1,0,0,0|1,0,1]=4 19 B18R0.176 CCCCCCCCCCCCCCCCC(=O)N MCULE-8756975449 [1,0,1,0,0,0|1,0,1]=4 20 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O MCULE-9357391090 [1,0,1,0,0,0|0,0,1]=3 21 B18R0.176 CCCCCCCCCCCCCCCCC(=O)[O-] MCULE-4806292195 [1,0,1,0,0,0|0,0,2]=4 22 B18R0.176 CCCCCCCCCCCCCCSCC(=O)O MCULE-6925387619 [1,0,1,0,0,0|1,0,1]=4 23 B18R0.176 CCCCCCCCCCCCCC[NH2+]CC(=O)O MCULE-2691784276 [1,0,1,0,0,0|1,0,1]=4 24 B18R0.176 CCCCCCCCCCCCCC[NH2+]CC(=O)O MCULE-2883416094 [1,0,1,0,0,0|1,0,1]=4 25 B18R0.176 NCCCCCCCCCCCCCCCC(=O)O MCULE-5669844918 [1,0,1,0,0,0|1,0,0]=3 26 B18R0.176 O=C(O)CCCCCCCCCCCCCCCBr MCULE-3555817163 [1,0,1,0,0,0|1,0,0]=3 27 B18R0.176 O=C(O)CCCCCCCCCCCCCCCO MCULE-5601308035 [1,0,1,0,0,0|1,0,0]=3 28 B18R0.176 O=C(O)CCCCCCCCCCCCCCCS MCULE-2534249442 [1,0,1,0,0,0|1,0,0]=3 29 B18R0.221 C=CCCCCCCCCCCCCCCCCBr MCULE-5254809366 [1,0,1,0,0,0|1,0,1]=4 30 B18R0.221 C=CCCCCCCCCCCCCCCCCC MCULE-9065008280 [1,0,1,0,0,0|1,0,1]=4 31 B18R0.221 CCCCCCCCCCCCCCCCCC=O MCULE-6723633168 [1,0,1,0,0,0|0,0,2]=4 32 B18R0.114 CCC(=O)CCCCCCCCCCCCC(=O)O MCULE-9117657777 [1,0,1,0,0,0|1,0,1]=4 33 B18R0.114 CCC(C)CCCCCCCCCCCCC(=O)O MCULE-8200495932 [1,0,1,0,0,0|0,0,1]=3 34 B18R0.114 CCC(O)CCCCCCCCCCCCC(=O)O MCULE-4792995027 [1,0,1,0,0,0|1,0,0]=3 35 B20R0.68 CCCCCCCCC(O)CCCCCCCCC(=O)O MCULE-8431505935 [0,1,1,0,0,0|0,0,2]=4 36 B20R0.90 CCCCCCC(O)CCCCCCCCCCC(=O)O MCULE-9965131742 [0,1,1,0,0,0|0,0,2]=4 37 B20R0.2931 CCCCCCCCCCCCCCCC(C)CC(=O)O MCULE-5539838856 [0,1,1,0,0,0|0,0,2]=4 38 B20R0.2931 CCCCCCCCCCCCCCCC(O)CC(=O)O MCULE-4092969179 [0,1,1,0,0,0|0,0,2]=4 39 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)OC MCULE-4040350805 [0,1,1,0,0,0|0,0,2]=4 40 B20R0.3034 COC(=O)CCCCCCCCCCCCCCCCO MCULE-1486220691 [0,1,1,0,0,0|1,0,1]=4 41 B20R0.3037 CCCCCCCCCCCCCCCCC(Br)C(=O)O MCULE-2391452296 [0,1,1,0,0,0|0,0,2]=4 42 B20R0.3037 CCCCCCCCCCCCCCCCC(C)C(=O)O MCULE-9187669622 [0,1,1,0,0,0|0,0,2]=4 43 B20R0.3037 CCCCCCCCCCCCCCCCC(Cl)C(=O)O MCULE-5489236535 [0,1,1,0,0,0|0,0,2]=4 44 B20R0.3037 CCCCCCCCCCCCCCCCC(O)C(=O)O MCULE-2412559497 [0,1,1,0,0,0|0,0,2]=4 45 B20R0.17440 CCCCCCCCCC(O)CCCCCCCC(=O)O MCULE-4076526032 [0,1,1,0,0,0|0,0,2]=4 46 B20R0.22238 CCCCCCCCCCCCC(O)CCCCC(=O)O MCULE-1743910978 [0,1,1,0,0,0|0,0,2]=4 47 B20R0.26099 CCC(C)CCCCCCCCCCCCCCC(=O)O MCULE-2714583803 [0,1,1,0,0,0|0,0,2]=4 48 B20R0.26099 COC(=O)CCCCCCCCCCCCCCC(=O)O MCULE-3930832156 [0,1,1,0,0,0|1,0,1]=4 49 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)O MCULE-3651545554 [0,1,1,0,0,0|0,0,2]=4 50 B20R0.31940 CCCCCCCCCCCCNCCCCCC(=O)O MCULE-2808072086 [0,1,1,0,0,0|0,0,2]=4 51 B20R0.31940 CCCCCCCNCCCCCCCCCCC(=O)O MCULE-1452338178 [0,1,1,0,0,0|0,0,2]=4 52 B20R0.31940 N#N=NCCCCCCCCCCCCCCCC(=O)O MCULE-3150834565 [0,1,1,0,0,0|2,0,0]=4 53 B20R0.31940 O=C(O)CCCCCCCCCCCCCCCCCBr MCULE-1900787768 [0,1,1,0,0,0|0,0,2]=4 54 B20R0.31940 O=C(O)CCCCCCCCCCCCCCCCCO MCULE-7843488730 [0,1,1,0,0,0|0,0,2]=4 55 B20R0.31940 O=C(O)CCCCCCCCCCCCCCCCCS MCULE-8278921645 [0,1,1,0,0,0|0,0,2]=4 56 B20R0.32069 CCCCCCCC(O)CCCCCCCCCC(=O)O MCULE-4849469492 [0,1,1,0,0,0|0,0,2]=4 57 B20R0.32990 CCCCCC(O)CCCCCCCCCCCC(=O)O MCULE-1833542033 [0,1,1,0,0,0|0,0,2]=4 58 B20R0.35227 CC(C)CCCCCCCCCCCCCCCC(=O)O MCULE-8317997046 [0,1,1,0,0,0|0,0,2]=4 59 B20R0.35227 O=C(O)CCCCCCCCCCCCCCCC(=O)O MCULE-6010456842 [0,1,1,0,0,0|1,0,0]=3 60 B20R1.8802 O=C(O)CCCCCCCCCCCC1CCC(=O)C1 MCULE-6385694506 [0,1,0,0,1,0|0,0,1]=3 61 B20R1.250 CCCCCCCCCCCCCC1CCCC(=O)O1 MCULE-8092098189 [0,0,1,1,0,0|0,0,2]=4 62 B20R1.58016 CCCCCCC1CCCC1CCCCCCC(=O)O MCULE-9548075936 [0,0,1,1,0,0|0,0,2]=4 63 B18R0.19354 CCCC(O)CCCCCCCCCCCC(=O)O MCULE-1240513762 [0,0,1,0,1,0|1,0,1]=4 64 B18R1.20697 O=C(O)CCCCCCCCCCC1CCCO1 MCULE-1461492082 [0,0,0,0,2,0|1,0,1]=4