0 B19R0.3102 CCCCCCCCCCCCCCCCP(=O)(C)C MCULE-1297219083 [0,0,0,0,0,0|3,0,0]=3 1 B19R0.3102 CCCCCCCCCCCCCCCCP(=O)(O)O MCULE-8035733316 [0,0,0,0,0,0|2,0,1]=3 2 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)Cl MCULE-9708403811 [0,0,0,0,0,0|0,1,0]=1 3 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)F MCULE-4504055603 [0,0,0,0,0,0|0,0,0]=0 4 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-4046657434 [0,0,0,0,0,0|1,0,0]=1 5 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-7597485703 [0,0,0,0,0,0|1,0,0]=1 6 B19R0.3102 CCCCCCCCCCCCCCCC[N+](C)(C)C MCULE-3382205002 [0,0,0,0,0,0|4,0,0]=4 7 B19R0.3102 CCCCCCCCCCCCCCCC[N+](C)(C)C MCULE-3445417278 [0,0,0,0,0,0|4,0,0]=4 8 B19R0.3102 CCCCCCCCCCCCCCCC[N+](C)(C)C MCULE-4220278982 [0,0,0,0,0,0|4,0,0]=4 9 B19R0.3102 CCCCCCCCCCCCCCCC[N+](C)(C)C MCULE-4305670420 [0,0,0,0,0,0|4,0,0]=4 10 B19R0.3102 CCCCCCCCCCCCCCCC[N+](C)(C)C MCULE-5717754684 [0,0,0,0,0,0|4,0,0]=4 11 B19R0.3102 CCCCCCCCCCCCCCCC[N+](C)(C)C MCULE-7034575622 [0,0,0,0,0,0|4,0,0]=4 12 B19R0.3102 CCCCCCCCCCCCCCCC[N+](C)(C)C MCULE-7452998571 [0,0,0,0,0,0|4,0,0]=4 13 B19R0.3102 CCCCCCCCCCCCCCCC[N+](C)(C)C MCULE-8268040909 [0,0,0,0,0,0|4,0,0]=4 14 B19R0.3102 CCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl MCULE-9269246375 [0,0,0,0,0,0|3,1,0]=4 15 B18R0.176 C=C(C)CCCCCCCCCCCCCCCC MCULE-1892085325 [1,0,0,0,0,0|3,0,0]=4 16 B18R0.176 CCCCCCCCCCCCCCCCB(O)O MCULE-2099476935 [1,0,0,0,0,0|1,0,2]=4 17 B18R0.176 CCCCCCCCCCCCCCCCC(=O)Cl MCULE-4774205698 [1,0,0,0,0,0|1,1,0]=3 18 B18R0.176 CCCCCCCCCCCCCCCCC(=O)N MCULE-8756975449 [1,0,0,0,0,0|2,0,0]=3 19 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O MCULE-9357391090 [1,0,0,0,0,0|1,0,1]=3 20 B18R0.176 CCCCCCCCCCCCCCCCC(=O)[O-] MCULE-4806292195 [1,0,0,0,0,0|1,0,1]=3 21 B18R0.176 CCCCCCCCCCCCCCCCN(=O)=O MCULE-7589734060 [1,0,0,0,0,0|1,0,0]=2 22 B18R0.176 CCCCCCCCCCCCCCCCN(C)C MCULE-2205932096 [1,0,0,0,0,0|3,0,0]=4 23 B18R0.176 CCCCCCCCCCCCCCCCN(C)C MCULE-5534646497 [1,0,0,0,0,0|3,0,0]=4 24 B18R0.176 CCCCCCCCCCCCCCCOC(=O)C MCULE-8455635595 [1,0,0,0,0,0|3,0,0]=4 25 B18R0.176 CCCCCCCCCCCCCCSCC(=O)O MCULE-6925387619 [1,0,0,0,0,0|2,0,1]=4 26 B18R0.176 CCCCCCCCCCCCCC[NH2+]CC(=O)O MCULE-2691784276 [1,0,0,0,0,0|2,0,1]=4 27 B18R0.176 CCCCCCCCCCCCCC[NH2+]CC(=O)O MCULE-2883416094 [1,0,0,0,0,0|2,0,1]=4 28 B18R0.176 CCCCCCCCCCCCSCCCC(=O)N MCULE-1673663174 [1,0,0,0,0,0|3,0,0]=4 29 B18R0.176 NCCCCCCCCCCCCCCCC(=O)O MCULE-5669844918 [1,0,0,0,0,0|2,0,1]=4 30 B18R0.176 O=C(O)CCCCCCCCCCCCCCCBr MCULE-3555817163 [1,0,0,0,0,0|2,0,1]=4 31 B18R0.176 O=C(O)CCCCCCCCCCCCCCCO MCULE-5601308035 [1,0,0,0,0,0|2,0,1]=4 32 B18R0.176 O=C(O)CCCCCCCCCCCCCCCS MCULE-2534249442 [1,0,0,0,0,0|2,0,1]=4 33 B18R0.182 CCCCCCCCCCCCCCCS(=O)(=O)O MCULE-4345458910 [1,0,0,0,0,0|1,0,0]=2 34 B18R0.182 CCCCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-7486286746 [1,0,0,0,0,0|1,0,0]=2 35 B18R0.182 CCCCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-7712284852 [1,0,0,0,0,0|2,0,0]=3 36 B18R0.182 CCCCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-9060828083 [1,0,0,0,0,0|2,0,0]=3 37 B20R0.31943 CCCCCCCCCCCCCCCC(O)S(=O)(=O)O MCULE-1581798687 [0,1,0,0,0,0|1,0,0]=2 38 B20R0.31943 CCCCCCCCCCCCCCCC(O)S(=O)(=O)[O-] MCULE-4763611508 [0,1,0,0,0,0|1,0,0]=2 39 B20R0.32509 CCCCCCCCCCCCCCCCOP(=O)(O)O MCULE-1298294906 [0,1,0,0,0,0|2,0,1]=4 40 B20R0.32509 CCCCCCCCCCCCCCCCOP(=O)([O-])O MCULE-1694896141 [0,1,0,0,0,0|2,0,1]=4 41 B20R0.32509 CCCCCCCCCCCCCCCCOP(=O)([O-])[O-] MCULE-4471014958 [0,1,0,0,0,0|2,0,1]=4 42 B20R0.32509 CCCCCCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-1058631183 [0,1,0,0,0,0|1,0,0]=2 43 B20R0.32509 CCCCCCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-4471067550 [0,1,0,0,0,0|1,0,0]=2 44 B20R0.32994 CCCCCCCCCCCCCCCCS(=O)(=O)NN MCULE-1372840289 [0,1,0,0,0,0|1,0,0]=2 45 B17R0.43 CCCCCCCCCCCCCCCC(=O)C MCULE-2820432182 [2,0,0,0,0,0|2,0,0]=4 46 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl MCULE-2299274236 [2,0,0,0,0,0|1,1,0]=4 47 B17R0.43 CCCCCCCCCCCCCCCC(=O)N MCULE-9133427571 [2,0,0,0,0,0|2,0,0]=4 48 B17R0.43 CCCCCCCCCCCCCCCC(=O)O MCULE-1361949901 [2,0,0,0,0,0|1,0,1]=4 49 B17R0.43 CCCCCCCCCCCCCCCC(=O)S MCULE-8215136457 [2,0,0,0,0,0|1,1,0]=4 50 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-2906724981 [2,0,0,0,0,0|1,0,1]=4 51 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-3645136442 [2,0,0,0,0,0|1,0,1]=4 52 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-9097304670 [2,0,0,0,0,0|1,0,1]=4 53 B17R0.117 C#CCCCCCCCCCCCCCCCC MCULE-5076637744 [2,0,0,0,0,0|2,0,0]=4 54 B17R0.117 C=CCCCCCCCCCCCCCCCC MCULE-2516709852 [2,0,0,0,0,0|2,0,0]=4 55 B17R0.117 CCCCCCCCCCCCCCCCC#N MCULE-6977232864 [2,0,0,0,0,0|2,0,0]=4 56 B17R0.117 CCCCCCCCCCCCCCCCC=O MCULE-7209784895 [2,0,0,0,0,0|1,0,0]=3 57 B17R0.117 CCCCCCCCCCCCCCCCCBr MCULE-6281216518 [2,0,0,0,0,0|1,1,0]=4 58 B17R0.117 CCCCCCCCCCCCCCCCCC MCULE-2392852814 [2,0,0,0,0,0|2,0,0]=4 59 B17R0.117 CCCCCCCCCCCCCCCCCN MCULE-2249148626 [2,0,0,0,0,0|2,0,0]=4 60 B17R0.117 CCCCCCCCCCCCCCCCCO MCULE-5595057947 [2,0,0,0,0,0|1,0,1]=4 61 B17R0.117 CCCCCCCCCCCCCCCCNC MCULE-1285251874 [2,0,0,0,0,0|2,0,0]=4 62 B17R0.197 CCCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-2130157408 [2,0,0,0,0,0|1,0,0]=3 63 B17R0.197 CCCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-2309434065 [2,0,0,0,0,0|1,0,0]=3 64 B17R0.197 CCCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-6601401599 [2,0,0,0,0,0|2,0,0]=4 65 B17R0.197 CCCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-9455261518 [2,0,0,0,0,0|2,0,0]=4 66 B19R0.35 CCCCCCCCCCCCCCC(O)CC(=O)O MCULE-6684061995 [1,1,0,0,0,0|1,0,1]=4 67 B19R0.148 CCCCCCCCCCCCCCCCC(=O)OC MCULE-4465312774 [1,1,0,0,0,0|1,0,1]=4 68 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)C MCULE-4728028088 [1,1,0,0,0,0|2,0,0]=4 69 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)Cl MCULE-2308152010 [1,1,0,0,0,0|1,1,0]=4 70 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)F MCULE-2181448420 [1,1,0,0,0,0|1,0,0]=3 71 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)N MCULE-4542342972 [1,1,0,0,0,0|2,0,0]=4 72 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O MCULE-5127577640 [1,1,0,0,0,0|1,0,1]=4 73 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-2987899692 [1,1,0,0,0,0|1,0,1]=4 74 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-3875570730 [1,1,0,0,0,0|1,0,1]=4 75 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-6249269089 [1,1,0,0,0,0|1,0,1]=4 76 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-6599303223 [1,1,0,0,0,0|1,0,1]=4 77 B19R0.149 CCCCCCCCCCCCCCCCNC(=O)C MCULE-6531755891 [1,1,0,0,0,0|2,0,0]=4 78 B19R0.149 CCCCCCCCCCCCCCCCNC(=O)N MCULE-8393504195 [1,1,0,0,0,0|2,0,0]=4 79 B19R0.149 CCCCCCCCCCCCCCCCOC(=O)C MCULE-2100485792 [1,1,0,0,0,0|2,0,0]=4 80 B19R0.149 CCCCCCCCCCCCCCCCOC(=O)Cl MCULE-4015597321 [1,1,0,0,0,0|1,1,0]=4 81 B19R0.149 CCCCCCCCCCCCCCCCOP(=O)[O-] MCULE-9510391507 [1,1,0,0,0,0|1,0,1]=4 82 B19R0.149 CCCCCCCCCCCCCCCCOP(=O)[O-] MCULE-9626584037 [1,1,0,0,0,0|1,0,1]=4 83 B19R0.149 CCCCCCCCCCCCSCCCCC(=O)O MCULE-8180884322 [1,1,0,0,0,0|1,0,1]=4 84 B19R0.149 CCCCCCCCSCCCCCCCCC(=O)O MCULE-1789714511 [1,1,0,0,0,0|1,0,1]=4 85 B19R0.149 O=C(O)CCCCCCCCCCCCCCCCBr MCULE-8185924357 [1,1,0,0,0,0|1,0,1]=4 86 B19R0.149 O=C(O)CCCCCCCCCCCCCCCCO MCULE-6787345030 [1,1,0,0,0,0|1,0,1]=4 87 B19R0.443 CC(C)CCCCCCCCCCCCCCC(=O)O MCULE-4598065479 [1,1,0,0,0,0|1,0,1]=4 88 B19R0.21384 CCC(C)CCCCCCCCCCCCCC(=O)O MCULE-4781818208 [1,1,0,0,0,0|1,0,1]=4 89 B19R0.26214 CCCCCCCCCC(O)CCCCCCC(=O)O MCULE-2739435890 [1,1,0,0,0,0|1,0,1]=4 90 B19R0.26289 CCCCCCC(O)CCCCCCCCCC(=O)O MCULE-3978963802 [1,1,0,0,0,0|1,0,1]=4 91 B21R0.25349 CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] MCULE-1437918842 [0,2,0,0,0,0|2,0,0]=4 92 B21R0.36399 CCCCCCCCCCCCCCCCCCS(=O)(=O)O MCULE-9427388139 [0,2,0,0,0,0|1,0,0]=3 93 B21R0.36399 CCCCCCCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-3444519383 [0,2,0,0,0,0|1,0,0]=3 94 B19R1.274 [C@@H]1(CCC(=O)O1)CCCCCCCCCCCCC MCULE-7211376504 [1,0,0,1,0,0|1,0,1]=4 95 B19R1.20739 O=C1CCCCCCCCCCCCCCCCO1 MCULE-3888851261 [1,0,0,1,0,0|1,0,1]=4 96 B19R1.46541 CCCCCCC1CC1CCCCCCCC(=O)O MCULE-2189450865 [1,0,0,1,0,0|1,0,1]=4 97 B21R1.17783 CCCCCCCCCCCCSC1CS(=O)(=O)CC1O MCULE-9167946454 [0,1,0,1,0,0|2,0,0]=4 98 B21R1.17783 CCCCCCCCCCCCS[C@H]1CS(=O)(=O)C[C@@H]1O MCULE-1774783426 [0,1,0,1,0,0|2,0,0]=4