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[0,0,0,0,0,0|1,0,0]=1 13 B22R0.37843 CCCCCCCCCCCCCCCCCCCCCCN MCULE-7372937317 [0,0,0,0,0,0|1,0,0]=1 14 B22R0.37843 CCCCCCCCCCCCCCCCCCCCCCO MCULE-3239333381 [0,0,0,0,0,0|0,0,0]=0 15 B22R0.37843 CCCCCCCCCCCCCCCCCCCCCCS MCULE-3416640091 [0,0,0,0,0,0|0,1,0]=1 16 B22R0.37843 CCCCCCCCCCCCCCCCCCNCCCO MCULE-2725504602 [0,0,0,0,0,0|1,0,0]=1 17 B22R0.37843 CCCCCCCCCCCCCCCCCCNCCOC MCULE-6886534442 [0,0,0,0,0,0|3,0,0]=3 18 B22R0.37843 CCCCCCCCCCCCCCCCCCOCCC#N MCULE-6722353089 [0,0,0,0,0,0|2,0,1]=3 19 B22R0.37843 CCCCCCCCCCCCCCCCCCOCCCO MCULE-3367784887 [0,0,0,0,0,0|1,0,0]=1 20 B22R0.37843 CCCCCCCCCCCCCCCCNCCCNCC MCULE-4558285277 [0,0,0,0,0,0|3,0,0]=3 21 B22R0.37843 CCCCCCCCCCCCSCCNCCSCCCC MCULE-4681816207 [0,0,0,0,0,0|4,0,0]=4 22 B22R0.37843 CCCCCCCCCCCNCCCCCCCCCCC MCULE-8197670124 [0,0,0,0,0,0|2,0,0]=2 23 B22R0.37843 CCCCCCCCCCCOCCCCCCCCCCC MCULE-7463732201 [0,0,0,0,0,0|2,0,0]=2 24 B22R0.37843 CCCCCCCCCCCSCCCCCCCCCCC MCULE-5672331069 [0,0,0,0,0,0|2,0,0]=2 25 B22R0.37843 CCCCCCCCCCNCCOCCOCCOCCO MCULE-6857767082 [0,0,0,0,0,0|4,0,0]=4 26 B22R0.37843 CCCCCCCCCCOCCOCCOCCOCCO MCULE-4951488511 [0,0,0,0,0,0|4,0,0]=4 27 B22R0.37843 CCCCCCCCCCOCOCCCCCCCCCC MCULE-5715323160 [0,0,0,0,0,0|3,0,0]=3 28 B22R0.37843 CCCCCCCCCCSCCOCCOCCOCCO MCULE-5007656350 [0,0,0,0,0,0|4,0,0]=4 29 B22R0.37843 CCCCCCCCOCCNCCOCCCCCCCC MCULE-2077095058 [0,0,0,0,0,0|4,0,0]=4 30 B22R0.37843 CCCCCCCCOCCNCCOCCCCCCCC MCULE-4214788730 [0,0,0,0,0,0|4,0,0]=4 31 B21R0.36664 C=CCCCCCCCCCCCCCCCCCCCC MCULE-6678856026 [1,0,0,0,0,0|0,0,2]=3 32 B21R0.36664 CCCCCCCCC=CCCCCCCCCNCCO MCULE-1577515300 [1,0,0,0,0,0|1,0,2]=4 33 B21R0.36664 CCCCCCCCC=CCCCCCCCCOCCO MCULE-8416658564 [1,0,0,0,0,0|1,0,2]=4 34 B21R0.36664 CCCCCCCCCCCCCCCCCCCCCC MCULE-1530566068 [1,0,0,0,0,0|0,0,0]=1 35 B21R0.36664 CCCCCCCCCCCCCCCCCCCCCO MCULE-7927521490 [1,0,0,0,0,0|0,0,0]=1 36 B21R0.36664 CCCCCCCCCCCCCCCCCCNCCO MCULE-5601209739 [1,0,0,0,0,0|1,0,0]=2 37 B21R0.36664 CCCCCCCCCCCCCCCCCCOCCO MCULE-4680691489 [1,0,0,0,0,0|1,0,0]=2 38 B21R0.36664 CCCCCCCCCCCCCCCCNCCCNC MCULE-8629116152 [1,0,0,0,0,0|2,0,0]=3 39 B21R0.36664 CCCCCCCCCCCCNCCOCCOCCO MCULE-5817192807 [1,0,0,0,0,0|3,0,0]=4 40 B21R0.36664 CCCCCCCCCCCCOCCOCCOCCO MCULE-1913044437 [1,0,0,0,0,0|3,0,0]=4 41 B21R0.36664 CCCCCCCCCCSSCCCCCCCCCC MCULE-2659784308 [1,0,0,0,0,0|2,0,0]=3 42 B21R0.36664 OCCCCCCCCCCCCCCCCCCCCBr MCULE-3506374911 [1,0,0,0,0,0|1,0,0]=2 43 B21R0.36664 OCCCCCCCCCCCCCCCCCCCCO MCULE-9238594783 [1,0,0,0,0,0|1,0,0]=2 44 B23R0.47 CCCCCCCCCCCC/C=C/CC/C=C/CCCCCO MCULE-6707274713 [0,1,0,0,0,0|0,0,3]=4 45 B23R0.47 CCCCCCCCCCCCC=CCCC=CCCCCCO MCULE-9772265159 [0,1,0,0,0,0|0,0,3]=4 46 B23R0.47 CCCCCCCCCCCCCCCCCCCCCCC=O MCULE-5664514401 [0,1,0,0,0,0|0,0,1]=2 47 B23R0.47 CCCCCCCCCCCCCCCCCCCCCCCC MCULE-5174537376 [0,1,0,0,0,0|1,0,0]=2 48 B23R0.47 CCCCCCCCCCCCCCCCCCCCCCCO MCULE-3732584758 [0,1,0,0,0,0|0,0,0]=1 49 B23R0.47 CCCCCCCCCCCCCCCCCCNCCCCC MCULE-8288910074 [0,1,0,0,0,0|1,0,0]=2 50 B23R0.47 CCCCCCCCCCCCCCOCCOCCOCCO MCULE-6619513772 [0,1,0,0,0,0|2,0,0]=3 51 B23R0.47 CCCCCCCCCCOCCOCCCCCCCCCC MCULE-1914070990 [0,1,0,0,0,0|2,0,0]=3 52 B23R0.47 OCCCCCCCCCCCCCCCCCCCCCCO MCULE-8562052651 [0,1,0,0,0,0|0,0,0]=1 53 B23R0.9269 CCCCCCCCCCCCCCCCCCCCC(=O)OC MCULE-7734389837 [0,1,0,0,0,0|2,0,1]=4 54 B23R0.9269 CCCCCCCCCCCCCCCCCCCCC(C)CC MCULE-2468601346 [0,1,0,0,0,0|1,0,0]=2 55 B23R0.9269 CCCCCCCCCCCCCCCCCCOCC(O)CO MCULE-6612947628 [0,1,0,0,0,0|1,0,0]=2 56 B23R0.9269 COC(=O)CCCCCCCCCCCCCCCCCCCO MCULE-3417556428 [0,1,0,0,0,0|1,0,1]=3 57 B23R0.10480 CCCCCCCCCCCOC(=O)CCCCCCCCCBr MCULE-9159565641 [0,1,0,0,0,0|2,0,1]=4 58 B23R0.18719 CCCCCCCCCCCCOC(=O)CCCCCCCCC MCULE-6174984572 [0,1,0,0,0,0|2,0,1]=4 59 B23R0.18861 CCCCCCCCCCCCCCCCCCC(O)COCC MCULE-8004899928 [0,1,0,0,0,0|2,0,0]=3 60 B23R0.27184 CCCCCCCCCCCCCCCC(=O)OCCOCCO MCULE-2694484695 [0,1,0,0,0,0|2,0,1]=4 61 B23R0.36661 CCCCCCCCCCCCCCCCCCCC(=O)OCC MCULE-9660145678 [0,1,0,0,0,0|2,0,1]=4 62 B23R0.36661 CCCCCCCCCCCCCCCCCCCC(=O)OCI MCULE-4236059273 [0,1,0,0,0,0|2,0,1]=4 63 B23R0.36661 CCCCCCCCCCCCCCCCCCOC(=O)CCS MCULE-9862094327 [0,1,0,0,0,0|1,1,1]=4 64 B23R0.36685 CCCCCCCCCCCC(=O)CCCCCCCCCCC MCULE-2159762712 [0,1,0,0,0,0|1,0,1]=3 65 B23R0.36685 CCCCCCCCCCCC(N)CCCCCCCCCCC MCULE-7879664824 [0,1,0,0,0,0|1,0,0]=2 66 B23R0.36685 CCCCCCCCCCCC(O)CCCCCCCCCCC MCULE-5556589321 [0,1,0,0,0,0|1,0,0]=2 67 B23R0.36685 CCCCCCCCCCCN(C)CCCCCCCCCCC MCULE-4146230482 [0,1,0,0,0,0|2,0,0]=3 68 B23R0.36743 CCCCCCCCCCCCCCCCCC(=O)NCCCO MCULE-3125296611 [0,1,0,0,0,0|1,0,1]=3 69 B23R0.36743 CCCCCCCCCCCCCCCCCC(=O)OCCCC MCULE-5345549530 [0,1,0,0,0,0|2,0,1]=4 70 B23R0.36959 C=CCCCCCCCCCCCCCCCCCCCC(=O)O MCULE-5094008253 [0,1,0,0,0,0|0,0,3]=4 71 B23R0.36959 CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O MCULE-8191255112 [0,1,0,0,0,0|0,0,3]=4 72 B23R0.36959 CCCCCCCCC=CCCCCCCCCCCCC(=O)O MCULE-3248745724 [0,1,0,0,0,0|0,0,3]=4 73 B23R0.36959 CCCCCCCCCCC=CCCCCCCCCCC(=O)O MCULE-6889662851 [0,1,0,0,0,0|0,0,3]=4 74 B23R0.36959 CCCCCCCCCCCCCC=CCCCCCCC(=O)O MCULE-3309438037 [0,1,0,0,0,0|0,0,3]=4 75 B23R0.36959 CCCCCCCCCCCCCCCCCCCCCC(=O)N MCULE-1682009540 [0,1,0,0,0,0|0,0,2]=3 76 B23R0.36959 CCCCCCCCCCCCCCCCCCCCCC(=O)O MCULE-1752034684 [0,1,0,0,0,0|0,0,1]=2 77 B23R0.36959 CCCCCCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-9614200331 [0,1,0,0,0,0|0,0,2]=3 78 B23R0.36959 CCCCCCCCCCCCCCCCCCCCOC(=O)C MCULE-9557893208 [0,1,0,0,0,0|1,0,2]=4 79 B23R0.36959 O=C(O)CCCCCCCCCCCCCCCCCCCCBr MCULE-2538565988 [0,1,0,0,0,0|1,0,1]=3 80 B23R0.36959 O=C(O)CCCCCCCCCCCCCCCCCCCCO MCULE-1765648557 [0,1,0,0,0,0|1,0,1]=3 81 B23R1.38917 CCCCCCCCCCCCCCCCCC1CCCCC1 MCULE-8715267196 [0,0,0,1,0,0|1,0,0]=2 82 B23R1.65620 CCCCCCCCCCCCCCCCCC[NH+]1CCCC1 MCULE-2833297549 [0,0,0,1,0,0|2,0,0]=3 83 B23R1.65620 CCCCCCCCCCCCCCCCCC[NH+]1CCCC1 MCULE-6044875061 [0,0,0,1,0,0|2,0,0]=3 84 B23R1.66692 CCCCCCCCNC1CCCCCCCCCCC1=NO MCULE-7800205963 [0,0,0,1,0,0|2,0,1]=4 85 B23R1.1892207 CCCCCCCCCCCCSC1CCCCCCC1=NO MCULE-1960294749 [0,0,0,1,0,0|2,0,1]=4 86 B23R1.1892207 CCCCCCCCCCCC[NH2+]C1CCCCCCC1=NO MCULE-5772718122 [0,0,0,1,0,0|2,0,1]=4 87 B23R1.1892207 CCCCCCCCCCCC[NH2+]C1CCCCCCC1=NO MCULE-9345849397 [0,0,0,1,0,0|2,0,1]=4 88 B20R0.2932 C=CCCCCCCCCCCCCCCCCCCC MCULE-4267987318 [2,0,0,0,0,0|0,0,2]=4 89 B20R0.2932 CCCCCCCCCCCCCCCCCCCC=O MCULE-2583593775 [2,0,0,0,0,0|0,0,2]=4 90 B20R0.2932 CCCCCCCCCCCCCCCCCCCCBr MCULE-7868045769 [2,0,0,0,0,0|1,0,0]=3 91 B20R0.2932 CCCCCCCCCCCCCCCCCCCCC MCULE-3230962872 [2,0,0,0,0,0|0,0,0]=2 92 B20R0.2932 CCCCCCCCCCCCCCCCCCCCCl MCULE-6684617118 [2,0,0,0,0,0|1,0,0]=3 93 B20R0.2932 CCCCCCCCCCCCCCCCCCCCN MCULE-6786366889 [2,0,0,0,0,0|1,0,0]=3 94 B20R0.2932 CCCCCCCCCCCCCCCCCCCCO MCULE-7922551976 [2,0,0,0,0,0|0,0,0]=2 95 B20R0.2932 CCCCCCCCCCCCCCCCCCCCS MCULE-8563857815 [2,0,0,0,0,0|0,1,0]=3 96 B20R0.2932 CCCCCCCCCCCCCCCCNCCCC MCULE-4030338906 [2,0,0,0,0,0|1,0,0]=3 97 B20R0.2932 CCCCCCCCCCCCCCCCNCCCN MCULE-4950352025 [2,0,0,0,0,0|2,0,0]=4 98 B20R0.2932 CCCCCCCCCCCCCCCCNCCCO MCULE-4308349339 [2,0,0,0,0,0|1,0,0]=3 99 B20R0.2932 CCCCCCCCCCCCCCCCOCCCO MCULE-8496439735 [2,0,0,0,0,0|1,0,0]=3 100 B20R0.2932 CCCCCCCCCCNCCCCCCCCCC MCULE-4175489428 [2,0,0,0,0,0|1,0,0]=3 101 B20R0.2932 CCCCCCCCCCNCCCCCCCCCC MCULE-9414456668 [2,0,0,0,0,0|1,0,0]=3 102 B20R0.2932 CCCCCCCCCCOCCCCCCCCCC MCULE-3236292237 [2,0,0,0,0,0|1,0,0]=3 103 B20R0.2932 CCCCCCCCCCSCCCCCCCCCC MCULE-5643913334 [2,0,0,0,0,0|1,0,0]=3 104 B20R0.2932 OCCCCCCCCCCCCCCCCCCCO MCULE-7817124881 [2,0,0,0,0,0|1,0,0]=3 105 B20R0.2932 [NH2+](CCCC)CCCCCCCCCCCCCCCC MCULE-7372521878 [2,0,0,0,0,0|1,0,0]=3 106 B22R0.54 CCCCCCCCCCCCCCCCCCC(=O)OCC MCULE-8035292791 [1,1,0,0,0,0|1,0,1]=4 107 B22R0.2907 CCCCCCCCCCCCCCCCCCCCC(=O)N MCULE-6110197367 [1,1,0,0,0,0|0,0,2]=4 108 B22R0.2907 CCCCCCCCCCCCCCCCCCCCC(=O)O MCULE-6667030670 [1,1,0,0,0,0|0,0,1]=3 109 B22R0.2907 CCCCCCCCCCCCCCCCCCNCC(C)O MCULE-6894135519 [1,1,0,0,0,0|1,0,0]=3 110 B22R0.2907 CCCCCCCCCCCCCCCCCCNCC(C)O MCULE-8081639869 [1,1,0,0,0,0|1,0,0]=3 111 B22R0.2907 CCCCCCCCCCCCCCCCCC[NH2+]CC(=O)O MCULE-7985017224 [1,1,0,0,0,0|1,0,1]=4 112 B22R0.2907 CCCCCCCCCCCCCCCCCC[NH2+]CC(=O)O MCULE-9347414737 [1,1,0,0,0,0|1,0,1]=4 113 B22R0.2907 O=C(O)CCCCCCCCCCCCCCCCCCCBr MCULE-3103891127 [1,1,0,0,0,0|1,0,1]=4 114 B22R0.2907 O=C(O)CCCCCCCCCCCCCCCCCCCO MCULE-6200904053 [1,1,0,0,0,0|1,0,1]=4 115 B22R0.37964 CCCCCCCCCCCCCCCCCCCC(=O)OC MCULE-1741761685 [1,1,0,0,0,0|1,0,1]=4 116 B22R0.37964 CCCCCCCCCCCCCCCCCCOC(=O)CC MCULE-3800893164 [1,1,0,0,0,0|1,0,1]=4 117 B22R0.38515 CCCCCCCCCCCCCCCCCC(=O)NCCO MCULE-2155628141 [1,1,0,0,0,0|1,0,1]=4 118 B22R0.38515 CCCCCCCCCCCCCCCCCC(=O)OCCO MCULE-6821432182 [1,1,0,0,0,0|1,0,1]=4 119 B24R0.2855 CCCCCCC=CCCCCCCCCCCCCCCCCC MCULE-9505374414 [0,2,0,0,0,0|1,0,0]=3 120 B24R0.2855 CCCCCCCCC=CCCCCCCCCCCCCCCC MCULE-3469525689 [0,2,0,0,0,0|1,0,0]=3 121 B24R0.2855 CCCCCCCCCCCCCCCCCCCCCCCCBr MCULE-1567412109 [0,2,0,0,0,0|1,0,0]=3 122 B24R0.2855 CCCCCCCCCCCCCCCCCCCCCCCCC MCULE-9788961214 [0,2,0,0,0,0|1,0,0]=3 123 B24R0.2855 CCCCCCCCCCCCCCCCCCCCCCCCO MCULE-1357618351 [0,2,0,0,0,0|0,0,0]=2 124 B24R0.2855 CCCCCCCCCCCCNCCCCCCCCCCCC MCULE-2726393382 [0,2,0,0,0,0|1,0,0]=3 125 B24R0.2855 CCCCCCCCCCCCNCCCCCCCCCCCC MCULE-7695353204 [0,2,0,0,0,0|1,0,0]=3 126 B24R0.2855 CCCCCCCCCCCCOCCCCCCCCCCCC MCULE-1928341921 [0,2,0,0,0,0|1,0,0]=3 127 B24R0.2855 CCCCCCCCCCCCOCCCCCCCCCCCC MCULE-6484550289 [0,2,0,0,0,0|1,0,0]=3 128 B24R0.2855 CCCCCCCCCCCCOCCOCCOCCOCCO MCULE-2882952206 [0,2,0,0,0,0|2,0,0]=4 129 B24R0.2855 CCCCCCCCCCCCSCCCCCCCCCCCC MCULE-9467559196 [0,2,0,0,0,0|1,0,0]=3 130 B24R0.8499 CCCCCCCCCCCOC(=O)CCCCCCCCCCC MCULE-1125010033 [0,2,0,0,0,0|1,0,1]=4 131 B24R0.31542 CCCCCCCCCCCCCCCCCCCC(=O)NCCO MCULE-8884857738 [0,2,0,0,0,0|0,0,1]=3 132 B24R0.31542 CCCCCCCCCCCCCCCCCCCC(=O)OCCO MCULE-4579303729 [0,2,0,0,0,0|0,0,1]=3 133 B24R0.34120 C=CCCCCCCCCCCCCCCCCCCCCC(=O)O MCULE-3364549999 [0,2,0,0,0,0|0,0,2]=4 134 B24R0.34120 CC=CCCCCCCCCCCCCCCCCCCCC(=O)O MCULE-1000003524 [0,2,0,0,0,0|0,0,2]=4 135 B24R0.34120 CCCCCCCCCCCCCCCCCCCCCCC(=O)N MCULE-3002233012 [0,2,0,0,0,0|0,0,1]=3 136 B24R0.34120 CCCCCCCCCCCCCCCCCCCCCCC(=O)O MCULE-6888441916 [0,2,0,0,0,0|0,0,0]=2 137 B24R0.34120 CCCCCCCCCCCCCCCCCCCCCCN(C)C MCULE-9775609840 [0,2,0,0,0,0|1,0,0]=3 138 B24R0.34120 O=C(O)CCCCCCCCCCCCCCCCCCCCCBr MCULE-6080988401 [0,2,0,0,0,0|0,0,1]=3 139 B24R0.34120 O=C(O)CCCCCCCCCCCCCCCCCCCCCO MCULE-5609061334 [0,2,0,0,0,0|0,0,1]=3 140 B24R0.34578 CCCCCCCCCCCCCCCCCCCCCC(=O)OC MCULE-3875944987 [0,2,0,0,0,0|0,0,1]=3 141 B24R0.34578 COC(=O)CCCCCCCCCCCCCCCCCCCCO MCULE-4618614972 [0,2,0,0,0,0|0,0,1]=3 142 B24R0.8564 CCCCCCCCCCCCCCCCCCCC(=O)C(C)CC MCULE-8306023556 [0,2,0,0,0,0|1,0,1]=4 143 B24R0.9588 CCCCCCCCCCCCCCCCCCOC[C@H](CO)OC MCULE-6651707658 [0,2,0,0,0,0|1,0,0]=3 144 B24R0.25590 CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO MCULE-2198239945 [0,2,0,0,0,0|1,0,1]=4 145 B24R0.34581 CCCCCCCCCCCCCCCCCCCCC(O)C(=O)O MCULE-2337063824 [0,2,0,0,0,0|0,0,1]=3 146 B24R0.25371 CCCCCCCCCCCCC(CBr)CCCCCCCCCC MCULE-6693825357 [0,2,0,0,0,0|1,0,0]=3 147 B24R0.25371 CCCCCCCCCCCCC(CN)CCCCCCCCCC MCULE-7212894091 [0,2,0,0,0,0|1,0,0]=3 148 B24R0.25371 CCCCCCCCCCCCC(CO)CCCCCCCCCC MCULE-8916350758 [0,2,0,0,0,0|1,0,0]=3 149 B24R0.56387 CCCCCCCCCCCCCCCC[N+](C)(C)CCOCCO MCULE-2245926462 [0,2,0,0,0,0|2,0,0]=4 150 B24R0.56387 CCCCCCCCCCCCCCCC[N+](C)(C)CCOCCO MCULE-5055495961 [0,2,0,0,0,0|2,0,0]=4 151 B24R0.2854 CCCCCCCCCCCCCCCCCCCC(O)CC(=O)O MCULE-2000398081 [0,2,0,0,0,0|0,0,1]=3 152 B24R0.25114 CCCCCCCCCCCC(=NO)CCCCCCCCCCC MCULE-3023716643 [0,2,0,0,0,0|1,0,1]=4 153 B22R1.3252 CCCCCCCCCCCCCCCCC1CCCCC1 MCULE-8925596462 [1,0,0,1,0,0|0,0,0]=2 154 B22R1.3252 CCCCCCCCCCCCCCCCN1CCCCC1 MCULE-7923961585 [1,0,0,1,0,0|1,0,0]=3 155 B22R1.3252 CCCCCCCCCCCCCCCCN1CCOCC1 MCULE-4705220163 [1,0,0,1,0,0|2,0,0]=4 156 B22R1.3252 CCCCCCCCCCCCCCCC[NH+]1CCCCC1 MCULE-9766512653 [1,0,0,1,0,0|1,0,0]=3 157 B22R1.3252 [NH+]1(CCOCC1)CCCCCCCCCCCCCCCC MCULE-5015798945 [1,0,0,1,0,0|2,0,0]=4 158 B24R1.16539 CCCCCCCCCCCCCCCCC1CCCCC1=NO MCULE-7426943833 [0,1,0,1,0,0|0,0,1]=3 159 B24R1.55667 CCCCCCCCCCCCCCCCCCC1CCCCC1 MCULE-8817313190 [0,1,0,1,0,0|1,0,0]=3 160 B24R1.55667 CCCCCCCCCCCCCCCCCCN1CCCCC1 MCULE-4271810102 [0,1,0,1,0,0|1,0,0]=3 161 B24R1.55667 CCCCCCCCCCCCCCCCCCN1CCOCC1 MCULE-4647345596 [0,1,0,1,0,0|2,0,0]=4 162 B24R1.55667 CCCCCCCCCCCCCCCCCC[NH+]1CCCCC1 MCULE-4026244966 [0,1,0,1,0,0|1,0,0]=3 163 B24R1.55667 CCCCCCCCCCCCCCCCCC[NH+]1CCOCC1 MCULE-2936183073 [0,1,0,1,0,0|2,0,0]=4 164 B24R1.55687 CCCCCCCCCCCCCCCCN1CCCCCC1=O MCULE-2180860605 [0,1,0,1,0,0|0,0,2]=4 165 B24R1.34513 NCCCCCCCCCCCCCCCC(=O)C1CCCCC1 MCULE-3508010581 [0,1,0,1,0,0|1,0,1]=4 166 B24R1.1561479 CCCCCCCCCCCCCCCCCC(=O)OCC1CO1 MCULE-4114264368 [0,1,0,1,0,0|1,0,1]=4