0 B17R0.117 BrCCCCCCCCCCCCCCCCBr MCULE-1772004339 [0,0,0,0,0,0|4,0,0]=4 1 B17R0.117 CCCCCCCCCCCCCCCCCBr MCULE-6281216518 [0,0,0,0,0,0|4,0,0]=4 2 B17R0.117 CCCCCCCCCCCCCCCCCC MCULE-2392852814 [0,0,0,0,0,0|4,0,0]=4 3 B17R0.117 CCCCCCCCCCCCCCCCCN MCULE-2249148626 [0,0,0,0,0,0|4,0,0]=4 4 B17R0.117 CCCCCCCCCCCCCCCCCO MCULE-5595057947 [0,0,0,0,0,0|3,0,0]=3 5 B17R0.117 CCCCCCCCCCCCCCNCCO MCULE-9295121461 [0,0,0,0,0,0|3,0,0]=3 6 B17R0.117 CCCCCCCCCCCCCCOCCO MCULE-7801199331 [0,0,0,0,0,0|2,1,0]=3 7 B17R0.117 CCCCCCCCCCCCCOCCCO MCULE-3687360805 [0,0,0,0,0,0|4,0,0]=4 8 B17R0.117 CCCCCCCCCCCCCOCCCO MCULE-8888652835 [0,0,0,0,0,0|4,0,0]=4 9 B17R0.117 NCCCCCCCCCCCCCCCCN MCULE-4384458307 [0,0,0,0,0,0|4,0,0]=4 10 B17R0.117 OCCCCCCCCCCCCCCCCBr MCULE-1022662758 [0,0,0,0,0,0|3,0,0]=3 11 B17R0.117 OCCCCCCCCCCCCCCCCO MCULE-4723598157 [0,0,0,0,0,0|2,0,0]=2 12 B17R0.117 OCCCCCCCCCCCCCCCCS MCULE-2183879155 [0,0,0,0,0,0|2,1,0]=3 13 B17R0.117 OCCSCCCCCCCCCCSCCO MCULE-1056184940 [0,0,0,0,0,0|0,0,0]=0 14 B17R0.117 SCCCCCCCCCCCCCCCCS MCULE-1100070319 [0,0,0,0,0,0|2,2,0]=4 15 B16R0.303 BrCCCCCCCCCCCCCCCBr MCULE-7690331860 [1,0,0,0,0,0|3,0,0]=4 16 B16R0.303 CCCCCCCCCCCCCCCCBr MCULE-7970004064 [1,0,0,0,0,0|3,0,0]=4 17 B16R0.303 CCCCCCCCCCCCCCCCC MCULE-3718944215 [1,0,0,0,0,0|3,0,0]=4 18 B16R0.303 CCCCCCCCCCCCCCCCCl MCULE-6806630762 [1,0,0,0,0,0|3,0,0]=4 19 B16R0.303 CCCCCCCCCCCCCCCCI MCULE-7905733232 [1,0,0,0,0,0|3,0,0]=4 20 B16R0.303 CCCCCCCCCCCCCCCCN MCULE-2718073245 [1,0,0,0,0,0|3,0,0]=4 21 B16R0.303 CCCCCCCCCCCCCCCCO MCULE-9457426256 [1,0,0,0,0,0|2,0,0]=3 22 B16R0.303 CCCCCCCCCCCCCCCCS MCULE-4288584728 [1,0,0,0,0,0|2,1,0]=4 23 B16R0.303 CCCCCCCCCCCCSCCCO MCULE-5140051072 [1,0,0,0,0,0|3,0,0]=4 24 B16R0.303 CCCCCCCCCCNCCOCCO MCULE-8259765985 [1,0,0,0,0,0|2,1,0]=4 25 B16R0.303 CCCCCCCCCCOCCOCCO MCULE-7547044004 [1,0,0,0,0,0|2,1,0]=4 26 B16R0.303 CCCCCCCCCCSCCOCCO MCULE-8507672081 [1,0,0,0,0,0|2,1,0]=4 27 B16R0.303 CCCCCCCCSCCCCCCCO MCULE-8968963881 [1,0,0,0,0,0|3,0,0]=4 28 B16R0.303 OCCCCCCCCCCCCCCCBr MCULE-4806172404 [1,0,0,0,0,0|2,0,0]=3 29 B16R0.303 OCCCCCCCCCCCCCCCO MCULE-2337452795 [1,0,0,0,0,0|1,0,0]=2 30 B18R0.110 CCCCCCCCCCCCCCC(O)CCO MCULE-1422813299 [0,1,0,0,0,0|3,0,0]=4 31 B18R0.176 CC(C)CCCCCCCCCCCCCCCO MCULE-6059147214 [0,1,0,0,0,0|3,0,0]=4 32 B18R0.176 CCCCCCCCCCCCCCNCC(C)O MCULE-3623779879 [0,1,0,0,0,0|3,0,0]=4 33 B18R0.176 CCCCCCCCCCCCCCSCC(=O)O MCULE-6925387619 [0,1,0,0,0,0|2,0,1]=4 34 B18R0.176 O=C(O)CCCCCCCCCCCCCCCO MCULE-5601308035 [0,1,0,0,0,0|2,0,1]=4 35 B18R0.221 CCCCCCCCCCCCCCCCCCO MCULE-4390437415 [0,1,0,0,0,0|3,0,0]=4 36 B18R0.221 CCCCCCCCCCCCCCNCCCO MCULE-5168079887 [0,1,0,0,0,0|3,0,0]=4 37 B18R0.221 CCCCCCCCCCCCOCCOCCO MCULE-7043512916 [0,1,0,0,0,0|2,1,0]=4 38 B18R0.221 CCCCCCCCCCCCSCCOCCO MCULE-5914963385 [0,1,0,0,0,0|2,1,0]=4 39 B18R0.221 OCCCCCCCCCCCCCCCCCO MCULE-8245676043 [0,1,0,0,0,0|2,0,0]=3 40 B15R0.70 BrCCCCCCCCCCCCCCBr MCULE-6889376040 [2,0,0,0,0,0|2,0,0]=4 41 B15R0.70 C#CCCCCCCCCCCCCCO MCULE-6688649818 [2,0,0,0,0,0|1,0,1]=4 42 B15R0.70 C=CCCCCCCCCCCCCCO MCULE-1065498044 [2,0,0,0,0,0|1,0,1]=4 43 B15R0.70 CCCCCCCCCCCCCCCBr MCULE-8425641825 [2,0,0,0,0,0|2,0,0]=4 44 B15R0.70 CCCCCCCCCCCCCCCC MCULE-6113174809 [2,0,0,0,0,0|2,0,0]=4 45 B15R0.70 CCCCCCCCCCCCCCCI MCULE-3840639439 [2,0,0,0,0,0|2,0,0]=4 46 B15R0.70 CCCCCCCCCCCCCCCN MCULE-1378870281 [2,0,0,0,0,0|2,0,0]=4 47 B15R0.70 CCCCCCCCCCCCCCCO MCULE-4053675052 [2,0,0,0,0,0|1,0,0]=3 48 B15R0.70 CCCCCCCCCCCCCCCS MCULE-7681133186 [2,0,0,0,0,0|1,1,0]=4 49 B15R0.70 CCCCCCCCCCCCCNCC MCULE-7261878767 [2,0,0,0,0,0|2,0,0]=4 50 B15R0.70 CCCCCCCCCCCCNCCC MCULE-2378403543 [2,0,0,0,0,0|2,0,0]=4 51 B15R0.70 CCCCCCCCCCCCNCCO MCULE-1636811846 [2,0,0,0,0,0|1,0,0]=3 52 B15R0.70 CCCCCCCCCCCCOCCCl MCULE-9177808600 [2,0,0,0,0,0|1,1,0]=4 53 B15R0.70 CCCCCCCCCCCCOCCO MCULE-5043607718 [2,0,0,0,0,0|0,1,0]=3 54 B15R0.70 CCCCCCCCCCCCSCCN MCULE-9926172507 [2,0,0,0,0,0|1,0,0]=3 55 B15R0.70 CCCCCCCCCCCCSCCO MCULE-7138907549 [2,0,0,0,0,0|0,0,0]=2 56 B15R0.70 CCCCCCCCCCCNCCCO MCULE-1917257904 [2,0,0,0,0,0|2,0,0]=4 57 B15R0.70 CCCCCCCCCCOCCCCO MCULE-2477857106 [2,0,0,0,0,0|2,0,0]=4 58 B15R0.70 CCCCCCCCOCCCCCCO MCULE-7610355921 [2,0,0,0,0,0|2,0,0]=4 59 B15R0.70 CCOCCCCCCCCCCOCC MCULE-3819692514 [2,0,0,0,0,0|0,2,0]=4 60 B15R0.70 NCCCCCCCCCCCCCCN MCULE-7594246043 [2,0,0,0,0,0|2,0,0]=4 61 B15R0.70 NCCCCCCCCCCCCCCO MCULE-2816059720 [2,0,0,0,0,0|1,0,0]=3 62 B15R0.70 OCCCCCCCCCCCCCCBr MCULE-7763469638 [2,0,0,0,0,0|1,0,0]=3 63 B15R0.70 OCCCCCCCCCCCCCCO MCULE-9200527284 [2,0,0,0,0,0|0,0,0]=2 64 B15R0.70 OCCCCOCCCCOCCCCO MCULE-3241468695 [2,0,0,0,0,0|2,0,0]=4 65 B15R0.70 OCCSCCSCCSCCSCCO MCULE-1311326741 [2,0,0,0,0,0|2,0,0]=4 66 B15R0.70 [NH2+](CCC)CCCCCCCCCCCC MCULE-4353484799 [2,0,0,0,0,0|2,0,0]=4 67 B17R0.43 CC(C)CCCCCCCCCCCCCCO MCULE-8255040422 [1,1,0,0,0,0|2,0,0]=4 68 B17R0.43 CCCCCCCCCCCCCCCC(C)O MCULE-4314680622 [1,1,0,0,0,0|2,0,0]=4 69 B17R0.43 O=C(O)CCCCCCCCCCCCCCO MCULE-9603867941 [1,1,0,0,0,0|1,0,1]=4 70 B17R0.195 CCCCCCCCCCCCCCC(N)CO MCULE-1144393791 [1,1,0,0,0,0|2,0,0]=4 71 B17R0.195 CCCCCCCCCCCCCCC(N)CO MCULE-5825082970 [1,1,0,0,0,0|2,0,0]=4 72 B17R0.195 CCCCCCCCCCCCCCC(O)CO MCULE-2636575508 [1,1,0,0,0,0|2,0,0]=4 73 B17R0.195 CCCCCCCCCCCCCC[C@@H](O)CO MCULE-3808241334 [1,1,0,0,0,0|2,0,0]=4 74 B17R0.195 CCCCCCCCCCCCCC[C@H](O)CO MCULE-8633813799 [1,1,0,0,0,0|2,0,0]=4 75 B19R0.149 O=C(O)CCCCCCCCCCCCCCCCO MCULE-6787345030 [0,2,0,0,0,0|2,0,0]=4 76 B19R0.36 OCCCCCCCCCCCCCCCCCCO MCULE-6691412387 [0,2,0,0,0,0|2,0,0]=4 77 B17R1.29093 CCCCCCCCCCCCCCC1CO1 MCULE-4791898371 [1,0,0,1,0,0|2,0,0]=4 78 B19R1.275 OCCCCCCCCCCCOC1CCCCO1 MCULE-5871268868 [0,1,0,1,0,0|2,0,0]=4 79 B19R2.1740336 C(CCCCCCC1CO1)CCCCCC2CO2 MCULE-1356684521 [0,0,0,2,0,0|2,0,0]=4