0 B21R0.36399 CCCCCCCCCCCCCCCCCCP(=O)(O)O MCULE-5807255184 [0,0,0,0,0,0|1,0,0]=1 1 B21R0.36399 CCCCCCCCCCCCCCCCCCS(=O)(=O)O MCULE-9427388139 [0,0,0,0,0,0|2,0,1]=3 2 B21R0.36399 CCCCCCCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-3444519383 [0,0,0,0,0,0|2,0,2]=4 3 B20R0.31940 CCCCCCCCCCCCCCCCCCB(O)O MCULE-4425312913 [1,0,0,0,0,0|2,0,0]=3 4 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)C MCULE-6612200716 [1,0,0,0,0,0|3,0,0]=4 5 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)Cl MCULE-8687950753 [1,0,0,0,0,0|3,0,0]=4 6 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)N MCULE-5930779500 [1,0,0,0,0,0|3,0,0]=4 7 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)O MCULE-3651545554 [1,0,0,0,0,0|2,0,0]=3 8 B20R0.31940 CCCCCCCCCCCCCCCCCCN(=O)=O MCULE-9592584788 [1,0,0,0,0,0|1,1,1]=4 9 B20R0.31940 CCCCCCCCCCCCNCCCCCC(=O)O MCULE-2808072086 [1,0,0,0,0,0|3,0,0]=4 10 B20R0.31940 CCCCCCCNCCCCCCCCCCC(=O)O MCULE-1452338178 [1,0,0,0,0,0|3,0,0]=4 11 B20R0.31940 O=C(O)CCCCCCCCCCCCCCCCCBr MCULE-1900787768 [1,0,0,0,0,0|3,0,0]=4 12 B20R0.31940 O=C(O)CCCCCCCCCCCCCCCCCO MCULE-7843488730 [1,0,0,0,0,0|3,0,0]=4 13 B20R0.31940 O=C(O)CCCCCCCCCCCCCCCCCS MCULE-8278921645 [1,0,0,0,0,0|3,0,0]=4 14 B20R0.32509 CCCCCCCCCCCCCCCCOP(=O)(O)O MCULE-1298294906 [1,0,0,0,0,0|1,0,0]=2 15 B20R0.32509 CCCCCCCCCCCCCCCCOP(=O)([O-])O MCULE-1694896141 [1,0,0,0,0,0|1,0,1]=3 16 B20R0.32509 CCCCCCCCCCCCCCCCOP(=O)([O-])[O-] MCULE-4471014958 [1,0,0,0,0,0|1,0,2]=4 17 B22R0.9489 CCCCCCCCCCCCCCCCCCOS(=O)(=O)O MCULE-5496403725 [0,1,0,0,0,0|2,0,1]=4 18 B19R0.36 CCCCCCCCCCCCCCCCCCCO MCULE-6992104307 [2,0,0,0,0,0|2,0,0]=4 19 B19R0.36 CCCCCCCCCCCCCCNCCCCC MCULE-7245951059 [2,0,0,0,0,0|2,0,0]=4 20 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)C MCULE-4728028088 [2,0,0,0,0,0|2,0,0]=4 21 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)Cl MCULE-2308152010 [2,0,0,0,0,0|2,0,0]=4 22 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)F MCULE-2181448420 [2,0,0,0,0,0|2,0,0]=4 23 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)N MCULE-4542342972 [2,0,0,0,0,0|2,0,0]=4 24 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O MCULE-5127577640 [2,0,0,0,0,0|1,0,0]=3 25 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-2987899692 [2,0,0,0,0,0|1,0,1]=4 26 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-3875570730 [2,0,0,0,0,0|1,0,1]=4 27 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-6249269089 [2,0,0,0,0,0|1,0,1]=4 28 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-6599303223 [2,0,0,0,0,0|1,0,1]=4 29 B19R0.149 CCCCCCCCCCCCCCCCOP(=O)[O-] MCULE-9510391507 [2,0,0,0,0,0|1,0,1]=4 30 B19R0.149 CCCCCCCCCCCCCCCCOP(=O)[O-] MCULE-9626584037 [2,0,0,0,0,0|1,0,1]=4 31 B19R0.149 CCCCCCCCCCCCSCCCCC(=O)O MCULE-8180884322 [2,0,0,0,0,0|2,0,0]=4 32 B19R0.149 CCCCCCCCSCCCCCCCCC(=O)O MCULE-1789714511 [2,0,0,0,0,0|2,0,0]=4 33 B19R0.149 O=C(O)CCCCCCCCCCCCCCCCBr MCULE-8185924357 [2,0,0,0,0,0|2,0,0]=4 34 B19R0.149 O=C(O)CCCCCCCCCCCCCCCCO MCULE-6787345030 [2,0,0,0,0,0|2,0,0]=4 35 B19R0.3102 CCCCCCCCCCCCCCCCP(=O)(C)C MCULE-1297219083 [2,0,0,0,0,0|2,0,0]=4 36 B19R0.3102 CCCCCCCCCCCCCCCCP(=O)(O)O MCULE-8035733316 [2,0,0,0,0,0|0,0,0]=2 37 B21R0.81 CCCCCCCCCCCCCCC=CCCCC(=O)O MCULE-6785318094 [1,1,0,0,0,0|2,0,0]=4 38 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)O MCULE-2888473872 [1,1,0,0,0,0|2,0,0]=4 39 B21R0.81 O=C(O)CCCCCCCCCCCCCCCCCCBr MCULE-3663484390 [1,1,0,0,0,0|2,0,0]=4 40 B21R0.81 O=C(O)CCCCCCCCCCCCCCCCCCO MCULE-7315062903 [1,1,0,0,0,0|2,0,0]=4 41 B21R0.9014 CC(C)CCCCCCCCCCCCCCCCC(=O)O MCULE-6203958880 [1,1,0,0,0,0|2,0,0]=4 42 B21R0.36766 CCCCCCCCCCCCCCCCCCC(=O)OC MCULE-3350746374 [1,1,0,0,0,0|2,0,0]=4 43 B21R0.36766 CCCCCCCCCCCCCCCCCCC(O)CO MCULE-6225581932 [1,1,0,0,0,0|2,0,0]=4 44 B21R0.39788 O=C(O)CCCCCCCCCCCCCCCP(=O)(O)O MCULE-3805277277 [1,1,0,0,0,0|1,0,1]=4 45 B23R0.1084577 CCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(=O)(O)O MCULE-2745526197 [0,2,0,0,0,0|2,0,0]=4 46 B21R1.17805 CCCCCCCCC1CC1CCCCCCCC(=O)O MCULE-6976268565 [1,0,0,1,0,0|2,0,0]=4 47 B21R1.17805 CCCCCCCC[C@@H]1C[C@@H]1CCCCCCCC(=O)O MCULE-8871810161 [1,0,0,1,0,0|2,0,0]=4 48 B21R1.17805 CCCCCCCC[C@H]1C[C@H]1CCCCCCCC(=O)O MCULE-6683247888 [1,0,0,1,0,0|2,0,0]=4 49 B21R1.988145 CCCCCCC1CC1CCCCCCCCCC(=O)O MCULE-9526160011 [1,0,0,1,0,0|2,0,0]=4