0 B24R0.34120 C=CCCCCCCCCCCCCCCCCCCCCC(=O)O MCULE-3364549999 [0,0,0,0,0,0|0,0,2]=2 1 B24R0.34120 CC=CCCCCCCCCCCCCCCCCCCCC(=O)O MCULE-1000003524 [0,0,0,0,0,0|0,0,2]=2 2 B24R0.34120 CCCCCCCCCCC#CC#CCCCCCCCCC(=O)O MCULE-5860906278 [0,0,0,0,0,0|0,0,4]=4 3 B24R0.34120 CCCCCCCCCCCCCCCCCCCCCCC(=O)N MCULE-3002233012 [0,0,0,0,0,0|1,0,0]=1 4 B24R0.34120 CCCCCCCCCCCCCCCCCCCCCCC(=O)O MCULE-6888441916 [0,0,0,0,0,0|0,0,0]=0 5 B24R0.34120 CCCCCCCCCCCCCCCCCCCCCCN(C)C MCULE-9775609840 [0,0,0,0,0,0|3,0,0]=3 6 B24R0.34120 O=C(O)CCCCCCCCCCCCCCCCCCCCCBr MCULE-6080988401 [0,0,0,0,0,0|1,0,0]=1 7 B24R0.34120 O=C(O)CCCCCCCCCCCCCCCCCCCCCO MCULE-5609061334 [0,0,0,0,0,0|1,0,0]=1 8 B23R0.47 CCCCCCCCCCCCCCCCCCCCCCC=O MCULE-5664514401 [1,0,0,0,0,0|0,0,0]=1 9 B23R0.47 CCCCCCCCCCCCCCCCCCCCCCCC MCULE-5174537376 [1,0,0,0,0,0|1,0,1]=3 10 B23R0.47 CCCCCCCCCCCCCCCCCCCCCCCO MCULE-3732584758 [1,0,0,0,0,0|0,0,1]=2 11 B23R0.47 CCCCCCCCCCCCCCCCCCNCCCCC MCULE-8288910074 [1,0,0,0,0,0|2,0,1]=4 12 B23R0.47 OCCCCCCCCCCCCCCCCCCCCCCO MCULE-8562052651 [1,0,0,0,0,0|1,0,1]=3 13 B23R0.36959 C(=CCCCCCCCCCCCC(=O)N)CCCCCCCC MCULE-2517446049 [1,0,0,0,0,0|1,0,2]=4 14 B23R0.36959 C=CCCCCCCCCCCCCCCCCCCCC(=O)O MCULE-5094008253 [1,0,0,0,0,0|0,0,2]=3 15 B23R0.36959 CCCCCCCC/C=C\CCCCCCCCCCCC(=O)N MCULE-5119823846 [1,0,0,0,0,0|1,0,2]=4 16 B23R0.36959 CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O MCULE-8191255112 [1,0,0,0,0,0|0,0,2]=3 17 B23R0.36959 CCCCCCCCC=CCCCCCCCCCCCC(=O)O MCULE-3248745724 [1,0,0,0,0,0|0,0,2]=3 18 B23R0.36959 CCCCCCCCCCC=CCCCCCCCCCC(=O)O MCULE-6889662851 [1,0,0,0,0,0|0,0,2]=3 19 B23R0.36959 CCCCCCCCCCCCCC=CCCCCCCC(=O)O MCULE-3309438037 [1,0,0,0,0,0|0,0,2]=3 20 B23R0.36959 CCCCCCCCCCCCCCCCCCCCCC(=O)N MCULE-1682009540 [1,0,0,0,0,0|1,0,0]=2 21 B23R0.36959 CCCCCCCCCCCCCCCCCCCCCC(=O)O MCULE-1752034684 [1,0,0,0,0,0|0,0,0]=1 22 B23R0.36959 CCCCCCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-9614200331 [1,0,0,0,0,0|0,0,1]=2 23 B23R0.36959 CCCCCCCCCCCCCCCCCCCCOC(=O)C MCULE-9557893208 [1,0,0,0,0,0|2,0,0]=3 24 B23R0.36959 O=C(O)CCCCCCCCCCCCCCCCCCCCBr MCULE-2538565988 [1,0,0,0,0,0|1,0,0]=2 25 B23R0.36959 O=C(O)CCCCCCCCCCCCCCCCCCCCO MCULE-1765648557 [1,0,0,0,0,0|1,0,0]=2 26 B25R0.7948 CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O MCULE-8798348917 [0,1,0,0,0,0|0,0,1]=2 27 B25R0.7948 CCCCCCCCC=CCCCCCCCCCCCCCC(=O)O MCULE-7702176615 [0,1,0,0,0,0|0,0,1]=2 28 B25R0.7948 CCCCCCCCCCCCCCCCCCCCCCCC(=O)C MCULE-7094938130 [0,1,0,0,0,0|1,0,0]=2 29 B25R0.7948 CCCCCCCCCCCCCCCCCCCCCCCC(=O)N MCULE-6126601651 [0,1,0,0,0,0|1,0,0]=2 30 B25R0.7948 CCCCCCCCCCCCCCCCCCCCCCCC(=O)O MCULE-9710516271 [0,1,0,0,0,0|0,0,0]=1 31 B25R0.7948 CCCCCCCCCCCCCCCCCCCCCCOC(=O)C MCULE-6047311863 [0,1,0,0,0,0|1,0,0]=2 32 B25R0.8638 CCCCCCCCCCCCCCCC(=O)NCCCCCC(=O)O MCULE-7248845027 [0,1,0,0,0,0|1,0,1]=3 33 B25R0.16317 CCCCCCCCCCCCCCCCCCCCCCC(=O)OC MCULE-2403230984 [0,1,0,0,0,0|0,0,0]=1 34 B25R0.16317 COC(=O)CCCCCCCCCCCCCCCCCCCCCO MCULE-7059516601 [0,1,0,0,0,0|1,0,0]=2 35 B25R0.16324 CCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)O MCULE-1644844027 [0,1,0,0,0,0|1,0,1]=3 36 B25R0.16324 CCCCCCCCCCCCCCCCCCOC(=O)CCC(=O)O MCULE-8631514020 [0,1,0,0,0,0|1,0,1]=3 37 B25R0.21963 O=C(O)CCCCCCCCCCCCCCCCCCCCC(=O)O MCULE-8069276044 [0,1,0,0,0,0|1,0,1]=3 38 B25R0.29190 CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)C MCULE-6068995765 [0,1,0,0,0,0|3,0,0]=4 39 B25R0.29190 CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)C MCULE-7075016000 [0,1,0,0,0,0|3,0,0]=4 40 B25R0.29190 CCCCCCCCCCCCCCCCCCCCCC[Si](C)(Cl)Cl MCULE-7589296603 [0,1,0,0,0,0|2,1,0]=4 41 B25R0.29190 CCCCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl MCULE-2924948724 [0,1,0,0,0,0|2,1,0]=4 42 B22R0.37843 CCCCCCCC/C=C\CCCCCCCCCCCCO MCULE-7647040762 [2,0,0,0,0,0|0,0,2]=4 43 B22R0.37843 CCCCCCCCC=CCCCCCCCCCCCCO MCULE-4623064101 [2,0,0,0,0,0|0,0,2]=4 44 B22R0.37843 CCCCCCCCCCCCCCCCCCCCCC#N MCULE-6426624323 [2,0,0,0,0,0|1,0,1]=4 45 B22R0.37843 CCCCCCCCCCCCCCCCCCCCCC=O MCULE-1439012709 [2,0,0,0,0,0|0,0,0]=2 46 B22R0.37843 CCCCCCCCCCCCCCCCCCCCCCBr MCULE-3212934075 [2,0,0,0,0,0|1,0,0]=3 47 B22R0.37843 CCCCCCCCCCCCCCCCCCCCCCC MCULE-8733316594 [2,0,0,0,0,0|0,0,1]=3 48 B22R0.37843 CCCCCCCCCCCCCCCCCCCCCCCl MCULE-9862384556 [2,0,0,0,0,0|1,0,0]=3 49 B22R0.37843 CCCCCCCCCCCCCCCCCCCCCCN MCULE-7372937317 [2,0,0,0,0,0|1,0,0]=3 50 B22R0.37843 CCCCCCCCCCCCCCCCCCCCCCO MCULE-3239333381 [2,0,0,0,0,0|0,0,0]=2 51 B22R0.37843 CCCCCCCCCCCCCCCCCCCCCCS MCULE-3416640091 [2,0,0,0,0,0|0,1,0]=3 52 B22R0.37843 CCCCCCCCCCCCCCCCCCNCCCO MCULE-2725504602 [2,0,0,0,0,0|1,0,0]=3 53 B22R0.37843 CCCCCCCCCCCCCCCCCCOCCCO MCULE-3367784887 [2,0,0,0,0,0|1,0,0]=3 54 B22R0.37843 CCCCCCCCCCCNCCCCCCCCCCC MCULE-8197670124 [2,0,0,0,0,0|1,0,1]=4 55 B22R0.37843 CCCCCCCCCCCOCCCCCCCCCCC MCULE-7463732201 [2,0,0,0,0,0|1,0,1]=4 56 B22R0.37843 CCCCCCCCCCCSCCCCCCCCCCC MCULE-5672331069 [2,0,0,0,0,0|1,0,1]=4 57 B22R0.2907 CCCCCCCCCCCCCCCCCCCCC(=O)N MCULE-6110197367 [2,0,0,0,0,0|1,0,0]=3 58 B22R0.2907 CCCCCCCCCCCCCCCCCCCCC(=O)O MCULE-6667030670 [2,0,0,0,0,0|0,0,0]=2 59 B22R0.2907 CCCCCCCCCCCCCCCCCC[NH2+]CC(=O)O MCULE-7985017224 [2,0,0,0,0,0|1,0,0]=3 60 B22R0.2907 CCCCCCCCCCCCCCCCCC[NH2+]CC(=O)O MCULE-9347414737 [2,0,0,0,0,0|1,0,0]=3 61 B22R0.2907 O=C(O)CCCCCCCCCCCCCCCCCCCBr MCULE-3103891127 [2,0,0,0,0,0|1,0,0]=3 62 B22R0.2907 O=C(O)CCCCCCCCCCCCCCCCCCCO MCULE-6200904053 [2,0,0,0,0,0|1,0,0]=3 63 B24R0.2855 CCCCCCCCCCCCCCCCCCCCCCCCBr MCULE-1567412109 [1,1,0,0,0,0|1,0,1]=4 64 B24R0.2855 CCCCCCCCCCCCCCCCCCCCCCCCC MCULE-9788961214 [1,1,0,0,0,0|1,0,1]=4 65 B24R0.2855 CCCCCCCCCCCCCCCCCCCCCCCCO MCULE-1357618351 [1,1,0,0,0,0|0,0,1]=3 66 B24R0.2855 CCCCCCCCCCCCNCCCCCCCCCCCC MCULE-2726393382 [1,1,0,0,0,0|1,0,1]=4 67 B24R0.2855 CCCCCCCCCCCCNCCCCCCCCCCCC MCULE-7695353204 [1,1,0,0,0,0|1,0,1]=4 68 B24R0.2855 CCCCCCCCCCCCOCCCCCCCCCCCC MCULE-1928341921 [1,1,0,0,0,0|1,0,1]=4 69 B24R0.2855 CCCCCCCCCCCCOCCCCCCCCCCCC MCULE-6484550289 [1,1,0,0,0,0|1,0,1]=4 70 B24R0.2855 CCCCCCCCCCCCSCCCCCCCCCCCC MCULE-9467559196 [1,1,0,0,0,0|1,0,1]=4 71 B24R0.2854 CCCCCCCCCCCCCCCCCCCC(O)CC(=O)O MCULE-2000398081 [1,1,0,0,0,0|0,0,0]=2 72 B24R0.19012 COC(=O)CCCCCCCCCCCCCCCCCCC(=O)O MCULE-7381413053 [1,1,0,0,0,0|1,0,1]=4 73 B24R0.34069 CCCCCCCCCCCCCCCCCC(=O)OCCC(=O)O MCULE-6758166245 [1,1,0,0,0,0|1,0,1]=4 74 B24R0.34581 CCCCCCCCCCCCCCCCCCCCC(O)C(=O)O MCULE-2337063824 [1,1,0,0,0,0|0,0,0]=2 75 B24R0.37373 O=C(O)CCCCCCCCCCCCCCCCCCCC(=O)O MCULE-1020860783 [1,1,0,0,0,0|1,0,1]=4 76 B26R0.8183 CCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-2967306856 [0,2,0,0,0,0|1,0,1]=4 77 B26R0.8183 CCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-4753236017 [0,2,0,0,0,0|1,0,1]=4 78 B26R0.25484 COC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)O MCULE-4309445048 [0,2,0,0,0,0|0,0,1]=3 79 B26R0.26422 C=CC(=O)OCCCCCCCCCCCCCCCCCCCCCC MCULE-4923475541 [0,2,0,0,0,0|1,0,0]=3 80 B26R0.26422 CCCCCCCCC=CCCCCCCCCCCCCCC(=O)OC MCULE-1052417281 [0,2,0,0,0,0|0,0,1]=3 81 B26R0.26422 CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC MCULE-1816610433 [0,2,0,0,0,0|0,0,0]=2 82 B26R0.26425 CCCCCCCCCCCCCCCCCCCCCCC(C)C(=O)O MCULE-1310380632 [0,2,0,0,0,0|0,0,0]=2 83 B26R0.26425 CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)O MCULE-3439459838 [0,2,0,0,0,0|0,0,0]=2 84 B26R0.27988 CCCCCCCCCCCCCCCCCCCCCC(O)CC(=O)O MCULE-1095263391 [0,2,0,0,0,0|0,0,0]=2 85 B26R0.28341 CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)O MCULE-8775174660 [0,2,0,0,0,0|0,0,2]=4 86 B26R0.28341 CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O MCULE-9581263473 [0,2,0,0,0,0|0,0,0]=2 87 B26R0.28341 O=C(O)CCCCCCCCCCCCCCCCCCCCCCCO MCULE-8780750351 [0,2,0,0,0,0|0,0,0]=2 88 B26R0.2605327 CCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)O MCULE-2449838433 [0,2,0,0,0,0|0,0,1]=3 89 B26R0.21009 CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)O MCULE-3411088912 [0,2,0,0,0,0|1,0,1]=4 90 B26R0.14925 CCCCCCCCCCCCCCCCCCCCCC(O)C(=O)OC MCULE-6197390026 [0,2,0,0,0,0|0,0,0]=2 91 B26R0.28155 CCCCCCCCCCCCCCCCCCCCCCC(=O)OCC MCULE-3453911693 [0,2,0,0,0,0|0,0,0]=2 92 B24R1.16539 CCCCCCCCCCCCCCCCC1CCCCC1=NO MCULE-7426943833 [1,0,0,1,0,0|1,0,1]=4 93 B24R1.55667 CCCCCCCCCCCCCCCCCCC1CCCCC1 MCULE-8817313190 [1,0,0,1,0,0|1,0,1]=4 94 B24R1.55687 CCCCCCCCCCCCCCCCN1CCCCCC1=O MCULE-2180860605 [1,0,0,1,0,0|1,0,0]=3 95 B24R1.55666 CCCCCCCCCCCCCCCCOCC1COC(=O)O1 MCULE-7511327352 [1,0,0,1,0,0|2,0,0]=4