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[0,0,0,0,0,0|1,0,0]=1 8 B30R4.2468419591 [C@@H]12C[C@@H](C3=CC(=O)C=C[C@@]3([C@H]1C(C[C@]4([C@H]2CC[C@]4(O)C(=O)CO)C)O)C)C MCULE-4514917000 [0,0,0,0,0,0|0,0,0]=0 9 B30R4.2468419591 [C@@H]12C[C@@H](C3=CC(=O)C=C[C@@]3([C@H]1[C@H](C[C@]4([C@H]2CC[C@]4(O)C(=O)CO)C)O)C)C MCULE-6519818800 [0,0,0,0,0,0|0,0,0]=0 10 B30R4.2468419591 [C@@H]12C[C@@H](C3=CC(=O)C=C[C@@]3([C@H]1[C@H](C[C@]4([C@H]2CC[C@]4(O)C(=O)CO)C)O)C)F MCULE-1542352851 [0,0,0,0,0,0|1,0,0]=1 11 B30R4.2468419591 [C@@H]12C[C@@H](C3=CC(=O)C=C[C@@]3([C@H]1[C@H](C[C@]4([C@H]2CC[C@]4(O)C(=O)CO)C)O)C)F MCULE-1802510282 [0,0,0,0,0,0|1,0,0]=1 12 B30R4.2468419591 [C@@H]12C[C@H](C3=CC(=O)CC[C@@]3([C@H]1[C@H](C[C@]4([C@H]2CC[C@]4(O)C(=O)CO)C)O)C)O MCULE-3840110043 [0,0,0,0,0,0|1,0,2]=3 13 B29R4.8253908594 C=C(CO)[C@]1(CCC2[C@@]1(CC(C3C2CCC4=CC(=O)CC[C@@]43C)O)C)O MCULE-4849477341 [1,0,0,0,0,0|1,0,2]=4 14 B29R4.8253908594 CC12C=CC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(O)C(=O)CO)C MCULE-9427838644 [1,0,0,0,0,0|0,0,2]=3 15 B29R4.8253908594 CC12C=CC(=O)C=C1CCC3C2C(=O)CC4(C3CC[C@]4(O)C(=O)CO)C MCULE-3405658621 [1,0,0,0,0,0|0,0,2]=3 16 B29R4.8253908594 CC12C=CC(=O)C=C1CCC3C2C(CC4(C3CCC4(O)C(=O)CO)C)O MCULE-2602572740 [1,0,0,0,0,0|0,0,0]=1 17 B29R4.8253908594 CC12C=CC(=O)C=C1CCC3C2C(CC4(C3CC[C@]4(O)C(=O)CO)C)O MCULE-8987505438 [1,0,0,0,0,0|0,0,0]=1 18 B29R4.8253908594 CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(O)C(=O)CO)C)O MCULE-8646276663 [1,0,0,0,0,0|0,0,2]=3 19 B29R4.8253908594 CC12CCC(=O)C=C1CCC3C2[C@@H](CC4(C3CC[C@]4(O)C(=O)CO)C)O MCULE-4822409054 [1,0,0,0,0,0|0,0,2]=3 20 B29R4.8253908594 C[C@]12CC(=O)C3C(C1CC[C@]2(O)C(=O)CO)CCC4=CC(=O)C=C[C@]34C MCULE-5038256266 [1,0,0,0,0,0|0,0,2]=3 21 B29R4.8253908594 C[C@]12C[C@@H](C3C(C1CC[C@]2(O)C(=O)CO)CCC4=CC(=O)C=C[C@]34C)O MCULE-8517981805 [1,0,0,0,0,0|0,0,0]=1 22 B29R4.8253908594 C[C@]12C[C@@H](C3C(C1CC[C@]2(O)C(=O)CO)CCC4=CC(=O)CC[C@]34C)O MCULE-1164147263 [1,0,0,0,0,0|0,0,2]=3 23 B29R4.8253908594 C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@]2(O)C(=O)CO)CCC4=CC(=O)C=C[C@]34C)O MCULE-9200259362 [1,0,0,0,0,0|0,0,0]=1 24 B29R4.8253908594 C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@]2(O)[C@H](O)CO)CCC4=CC(=O)C=C[C@]34C)O MCULE-9766995066 [1,0,0,0,0,0|0,0,2]=3 25 B29R4.8253908594 [C@@H]12CCC3=CC(=O)C=C[C@@]3([C@H]1C(=O)C[C@]4([C@H]2CC[C@]4(O)C(=O)CO)C)C MCULE-2603291254 [1,0,0,0,0,0|0,0,2]=3 26 B29R4.8253908594 [C@@H]12CCC3=CC(=O)C=C[C@@]3([C@H]1C(=O)C[C@]4([C@H]2CC[C@]4(O)C(=O)CO)C)C MCULE-4625091681 [1,0,0,0,0,0|0,0,2]=3 27 B29R4.8253908594 [C@@H]12CCC3=CC(=O)C=C[C@@]3([C@H]1C(C[C@]4([C@H]2CC[C@]4(O)C(=O)CO)C)O)C MCULE-1609639888 [1,0,0,0,0,0|0,0,0]=1 28 B29R4.8253908594 [C@@H]12CCC3=CC(=O)C=C[C@@]3([C@H]1C(C[C@]4([C@H]2CC[C@]4(O)C(=O)CO)C)O)C MCULE-8902244781 [1,0,0,0,0,0|0,0,0]=1 29 B29R4.8253908594 [C@@H]12CCC3=CC(=O)C=C[C@@]3([C@H]1[C@H](C[C@]4([C@H]2CC[C@]4(O)C(=O)CN)C)O)C MCULE-1667153952 [1,0,0,0,0,0|1,0,0]=2 30 B29R4.8253908594 [C@@H]12CCC3=CC(=O)C=C[C@@]3([C@H]1[C@H](C[C@]4([C@H]2CC[C@]4(O)C(=O)CN)C)O)C MCULE-4644128153 [1,0,0,0,0,0|1,0,0]=2 31 B29R4.8253908594 [C@@H]12CCC3=CC(=O)C=C[C@@]3([C@H]1[C@H](C[C@]4([C@H]2CC[C@]4(O)C(=O)CN)C)O)C MCULE-7805105928 [1,0,0,0,0,0|1,0,0]=2 32 B29R4.8253908594 [C@@H]12CCC3=CC(=O)C=C[C@@]3([C@H]1[C@H](C[C@]4([C@H]2CC[C@]4(O)C(=O)CN)C)O)C MCULE-8715831101 [1,0,0,0,0,0|1,0,0]=2 33 B29R4.8253908594 [C@@H]12CCC3=CC(=O)C=C[C@@]3([C@H]1[C@H](C[C@]4([C@H]2CC[C@]4(O)C(=O)CO)C)O)C MCULE-5821381267 [1,0,0,0,0,0|0,0,0]=1 34 B29R4.8253908594 [C@@H]12CCC3=CC(=O)CC[C@@]3([C@H]1[C@H](C[C@]4([C@H]2CC[C@]4(O)C(=O)CO)C)O)C MCULE-8463642691 [1,0,0,0,0,0|0,0,2]=3 35 B29R4.8253908594 [C@@H]12CCC3=CC(=O)CC[C@@]3([C@H]1[C@H](C[C@]4([C@H]2CC[C@]4(O)C(=O)CO)C)O)C MCULE-8953627920 [1,0,0,0,0,0|0,0,2]=3 36 B31R4.3868520422 CC12C=CC(=O)C=C1C(CC3C2C(CC4(C3CC(C4(O)C(=O)CO)O)C)O)F MCULE-7064033071 [0,1,0,0,0,0|1,0,0]=2 37 B31R4.3868520422 [C@@H]12C[C@@H](C3=CC(=O)C=C[C@@]3([C@H]1[C@H](C[C@]4([C@H]2C[C@H]([C@]4(O)C(=O)CO)C)C)O)C)F MCULE-6528401124 [0,1,0,0,0,0|1,0,0]=2 38 B31R4.3868520422 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MCULE-9269906290 [2,0,0,0,0,0|0,0,2]=4 46 B28R4.965886625 [C@@H]12CC[C@]([C@]1(CC[C@H]3[C@H]2C[C@@H](C4=CC(=O)CC[C@]34C)C)C)(O)C(=O)C MCULE-6305022030 [2,0,0,0,0,0|0,0,2]=4 47 B28R4.965886625 [C@@H]12CC[C@]([C@]1(CC[C@H]3[C@H]2C[C@@H](C4=CC(=O)CC[C@]34C)C)C)(O)C(=O)C MCULE-8804620537 [2,0,0,0,0,0|0,0,2]=4 48 B28R4.965886625 [C@@H]12C[C@@H](C3=CC(=O)CC[C@@]3(C1CC[C@]4(C2CC[C@]4(O)C(=O)C)C)C)C MCULE-5812895084 [2,0,0,0,0,0|0,0,2]=4 49 B28R4.967132669 C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@]2(O)C(=O)O)CCC4=CC(=O)CC[C@]34C)O MCULE-2339478660 [2,0,0,0,0,0|0,0,2]=4 50 B28R4.967132669 [C@@H]12CCC3=CC(=O)C=C[C@@]3(C1[C@H](C[C@]4(C2CC[C@]4(O)C(=O)O)C)O)C MCULE-4113416417 [2,0,0,0,0,0|0,0,0]=2 51 B28R4.967132669 [C@@H]12CCC3=CC(=O)C=C[C@@]3([C@H]1[C@H](C[C@]4([C@H]2CC[C@]4(O)C(=O)C)C)O)C MCULE-9522647380 [2,0,0,0,0,0|0,0,0]=2 52 B28R4.967132669 [C@@H]12CCC3=CC(=O)C=C[C@@]3([C@H]1[C@H](C[C@]4([C@H]2CC[C@]4(O)C(=O)O)C)O)C MCULE-5860324516 [2,0,0,0,0,0|0,0,0]=2 53 B28R4.967132669 [C@@H]12CCC3=CC(=O)CC[C@@]3([C@H]1[C@H](C[C@]4([C@H]2CC[C@]4(O)C(=O)C)C)O)C MCULE-3529010022 [2,0,0,0,0,0|0,0,2]=4 54 B28R4.967132669 [C@@H]12CC[C@]([C@]1(CC(=O)[C@H]3C2CCC4=CC(=O)C=C[C@]34C)C)(O)C(=O)O MCULE-9478310264 [2,0,0,0,0,0|0,0,2]=4 55 B28R4.967178924 [C@@H]12C[C@@H](C3=CC(=O)CC[C@@]3([C@H]1[C@H](C[C@]4([C@H]2CC[C@@H]4C(=O)C)C)O)C)C MCULE-7010605333 [2,0,0,0,0,0|0,0,2]=4 56 B28R4.967178924 [C@@H]12C[C@@H](C3=CC(=O)CC[C@@]3([C@H]1[C@H](C[C@]4([C@H]2CC[C@@H]4C(=O)C)C)O)C)C MCULE-9550578442 [2,0,0,0,0,0|0,0,2]=4 57 B28R4.1136611681 CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O MCULE-8869963478 [2,0,0,0,0,0|0,0,2]=4 58 B28R4.1136611681 C[C@]12C[C@@H]([C@@H]3[C@H]([C@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C)O MCULE-8637459260 [2,0,0,0,0,0|0,0,2]=4 59 B28R4.1136611681 [C@@H]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@@]43C)O)C)C(=O)CO MCULE-6520929159 [2,0,0,0,0,0|0,0,2]=4 60 B28R4.1136611681 [C@@H]12CCC3=CC(=O)CC[C@@]3([C@H]1[C@H](C[C@]4([C@H]2CC[C@@H]4C(=O)CO)C)O)C MCULE-1874567277 [2,0,0,0,0,0|0,0,2]=4 61 B28R4.1146461172 CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(O)C(=O)CO)C MCULE-9765892541 [2,0,0,0,0,0|0,0,2]=4 62 B28R4.1146461172 CC12CCC(=O)C=C1CCC3C2CCC4(C3CC[C@]4(O)C(=O)CO)C MCULE-1459297460 [2,0,0,0,0,0|0,0,2]=4 63 B28R4.1146461172 CC12CCC(=O)C=C1CCC3C2CCC4(C3CC[C@]4(O)C(=O)CO)C MCULE-2400907851 [2,0,0,0,0,0|0,0,2]=4 64 B28R4.1146461172 [C@@H]12CC[C@]([C@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)(O)C(=O)CO MCULE-1153477483 [2,0,0,0,0,0|0,0,2]=4 65 B28R4.1146461172 [C@@H]12CC[C@]([C@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)(O)C(=O)CO MCULE-8877595522 [2,0,0,0,0,0|0,0,2]=4 66 B28R4.1146522885 [C@@H]12CCC3=CC(=O)C=C[C@@]3([C@H]1[C@H](C[C@H]4[C@H]2CC[C@]4(O)C(=O)CN)O)C MCULE-5150529339 [2,0,0,0,0,0|1,0,0]=3 67 B28R4.1146522885 [C@@H]12CCC3=CC(=O)C=C[C@@]3([C@H]1[C@H](C[C@H]4[C@H]2CC[C@]4(O)C(=O)CN)O)C MCULE-9050311174 [2,0,0,0,0,0|1,0,0]=3 68 B30R4.2228046113 CC(=O)C1(CCC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)C)F)O)C)O MCULE-2724365464 [1,1,0,0,0,0|0,0,0]=2 69 B30R4.2228046113 CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)C)F)O)C)O MCULE-6593806103 [1,1,0,0,0,0|0,0,0]=2 70 B30R4.2228046113 [C@@H]12CC(C3=CC(=O)C=C[C@@]3(C1(C(C[C@]4([C@H]2CC[C@]4(O)C(=O)C)C)O)F)C)C MCULE-9440774937 [1,1,0,0,0,0|0,0,0]=2 71 B30R4.2228046113 [C@@H]12CC[C@]([C@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)C)F)O)C)(O)C(=O)C MCULE-5898353368 [1,1,0,0,0,0|0,0,0]=2 72 B30R4.1309181273 CC12CCC(=O)C=C1CC(C3C2C(CC4(C3CCC4(O)C(=O)CO)C)O)O MCULE-6631479177 [1,1,0,0,0,0|0,0,2]=4 73 B30R4.1309181273 [C@@H]12CC[C@]([C@]1(C[C@@H]([C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)O)C)(O)C(=O)CO MCULE-4260070403 [1,1,0,0,0,0|0,0,2]=4 74 B30R4.1310497884 C12CC(C(C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)(O)C(=O)CO)O MCULE-1451673789 [1,1,0,0,0,0|0,0,0]=2 75 B30R4.1310497884 CC1CC2C3CCC4=CC(=O)C=CC4(C3C(=O)CC2(C1(O)C(=O)CO)C)C MCULE-7821492457 [1,1,0,0,0,0|0,0,2]=4 76 B30R4.1310497884 CC1CC2C3CCC4=CC(=O)C=CC4(C3C(CC2(C1(O)C(=O)CO)C)O)C MCULE-4494327817 [1,1,0,0,0,0|0,0,0]=2 77 B30R4.1310497884 CCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@@]43C)O)C)C)C MCULE-3615747181 [1,1,0,0,0,0|2,0,0]=4 78 B30R4.1310497884 C[C@@H]1CC2C3CCC4=CC(=O)CCC4(C3[C@H](CC2([C@@]1(O)C(=O)CO)C)O)C MCULE-5186769141 [1,1,0,0,0,0|0,0,2]=4 79 B30R4.1310497884 C[C@@H]1CC2C3CCC4=CC(=O)CC[C@@]4(C3[C@H](C[C@@]2([C@@]1(O)C(=O)CO)C)O)C MCULE-9617873941 [1,1,0,0,0,0|0,0,2]=4 80 B30R4.1310497884 C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@H]3C(=O)C[C@@]2([C@@]1(O)C(=O)CO)C)C MCULE-4729751323 [1,1,0,0,0,0|0,0,2]=4 81 B30R4.1310497884 [C@@H]1(C[C@]2([C@@H](C[C@H]([C@]2(O)C(=O)CO)O)[C@H]3[C@H]1[C@@]4(C(=CC(=O)C=C4)CC3)C)C)O MCULE-1563230915 [1,1,0,0,0,0|0,0,0]=2 82 B30R4.1310497884 [C@@H]12CCC3=CC(=O)C=C[C@@]3([C@H]1C(=O)C[C@]4([C@H]2C[C@@H]([C@]4(O)C(=O)CO)C)C)C MCULE-7939545317 [1,1,0,0,0,0|0,0,2]=4 83 B30R4.1310497884 [C@@H]12CCC3=CC(=O)CC[C@@]3([C@H]1[C@H](C[C@]4([C@H]2C[C@H]([C@]4(O)C(=O)CO)C)C)O)C MCULE-2791131855 [1,1,0,0,0,0|0,0,2]=4 84 B30R4.1310497884 [C@@H]12C[C@H]([C@]([C@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)(O)C(=O)CO)O MCULE-5063593626 [1,1,0,0,0,0|0,0,0]=2 85 B30R4.2468447894 CC12CCC(=O)C=C1CCC3C2(C(CC4(C3CCC4(O)C(=O)CO)C)O)F MCULE-8028716685 [1,1,0,0,0,0|0,0,2]=4 86 B30R4.2468447894 C[C@]12CC([C@]3(C(C1CC[C@]2(O)C(=O)CO)CCC4=CC(=O)C=C[C@]34C)F)O MCULE-4558431782 [1,1,0,0,0,0|0,0,0]=2 87 B30R4.2468447894 C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1CC[C@]2(O)C(=O)CO)CCC4=CC(=O)C=C[C@]34C)Cl)Cl MCULE-5284480715 [1,1,0,0,0,0|1,0,0]=3 88 B30R4.2468447894 [C@@H]12CC[C@]([C@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@]34C)F)O)C)(O)C(=O)CO MCULE-6725764468 [1,1,0,0,0,0|0,0,0]=2 89 B30R4.2468447894 [C@@H]12CC[C@]([C@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@]34C)F)O)C)(O)C(=O)CO MCULE-9961662460 [1,1,0,0,0,0|0,0,0]=2 90 B30R4.2468447894 [C@@H]12CC[C@]([C@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)CC[C@]34C)F)O)C)(O)C(=O)CO MCULE-2792407675 [1,1,0,0,0,0|0,0,2]=4 91 B30R4.2468447894 [C@@H]12CC[C@]([C@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)CC[C@]34C)F)O)C)(O)C(=O)CO MCULE-3962878954 [1,1,0,0,0,0|0,0,2]=4 92 B30R4.2467081517 C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@H]1C(=O)CO)C)O)C)F MCULE-8522839277 [1,1,0,0,0,0|1,0,0]=3 93 B30R4.2467081517 [C@@H]12C[C@@H](C3=CC(=O)C=C[C@@]3([C@H]1[C@H](C[C@]4([C@H]2C[C@H]([C@@H]4C(=O)CO)C)C)O)C)F MCULE-4778385088 [1,1,0,0,0,0|1,0,0]=3 94 B32R4.3406213674 CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(O)C(=O)CO)C)O)F)C)F MCULE-4580442571 [0,2,0,0,0,0|1,0,0]=3 95 B32R4.3406213674 C[C@@H]1C[C@H]2[C@@H]3C[C@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@@]1(O)C(=O)CO)C)O)F)C)O MCULE-4434157721 [0,2,0,0,0,0|1,0,0]=3 96 B32R4.3406213674 C[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@@]1(O)C(=O)CO)C)O)F)C)F MCULE-8759754496 [0,2,0,0,0,0|1,0,0]=3 97 B32R4.3406213674 [C@@H]12C[C@@H]([C@]([C@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)F)F)O)C)(O)C(=O)CO)C MCULE-3407631573 [0,2,0,0,0,0|1,0,0]=3 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[C@@H]12CCC3=CC(=O)CC[C@@]3([C@@]14O[C@H]4C[C@]5(C2CC[C@]5(O)C(=O)CO)C)C MCULE-7500403231 [1,0,0,1,0,0|0,0,2]=4