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B42R5.3788790558 COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=C4CC(CC(C4=C3O)OC5CC(C(C(O5)C)O)N)(O)C(=O)C)O MCULE-3063562492 [0,0,0,0,0,0|0,0,0]=0 7 B42R5.3788790558 COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=C4CC(CC(C4=C3O)OC5CC(C(C(O5)C)O)N)(O)C(=O)C)O MCULE-6546034726 [0,0,0,0,0,0|0,0,0]=0 8 B42R5.3788790558 COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=C4CC(CC(C4=C3O)OC5CC(C(C(O5)C)O)N)(O)C(C)O)O MCULE-8589358170 [0,0,0,0,0,0|0,0,2]=2 9 B42R5.3788790558 COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=C4CC(CC(C4=C3O)OC5CC(C(C(O5)C)O)N)(O)C(C)O)O MCULE-9644221563 [0,0,0,0,0,0|0,0,2]=2 10 B42R5.3788790558 COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@@](C[C@@H]4OC5CC(C(C(O5)C)O)N)(O)C(=O)C)C(=C3C2=O)O)O MCULE-4037395984 [0,0,0,0,0,0|0,0,0]=0 11 B42R5.3788790558 COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@@](C[C@@H]4OC5CC(C(C(O5)C)O)N)(O)C(=O)C)C(=C3C2=O)O)O MCULE-5945204869 [0,0,0,0,0,0|0,0,0]=0 12 B42R5.3788790558 COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@@](C[C@@H]4O[C@@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(O)C(=O)C)C(=C3C2=O)O)O MCULE-2678265367 [0,0,0,0,0,0|0,0,0]=0 13 B42R5.3788790558 COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@@](C[C@@H]4O[C@@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(O)C(=O)C)C(=C3C2=O)O)O MCULE-3431068342 [0,0,0,0,0,0|0,0,0]=0 14 B42R5.3788790558 COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@@](C[C@@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(O)C(=O)C)C(=C3C2=O)O)O MCULE-3358052109 [0,0,0,0,0,0|0,0,0]=0 15 B42R5.3788790558 COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@@](C[C@@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(O)C(=O)C)C(=C3C2=O)O)O MCULE-4249081776 [0,0,0,0,0,0|0,0,0]=0 16 B42R5.3788790558 COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@@](C[C@@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(O)[C@H](C)O)C(=C3C2=O)O)O MCULE-4585053328 [0,0,0,0,0,0|0,0,2]=2 17 B42R5.3788790558 COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@](C[C@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(O)C(=O)C)C(=C3C2=O)O)O MCULE-2900704652 [0,0,0,0,0,0|0,0,0]=0 18 B41R5.4051685539 CC(=O)[C@@]1(CC2=C(C(=C3C(=O)C4=C(C=CC=C4O)C(=O)C3=C2O)O)[C@H](C1)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O MCULE-8276015167 [1,0,0,0,0,0|0,0,0]=1 19 B41R5.4051685539 CC(=O)[C@@]1(CC2=C(C(=C3C(=O)C4=C(C=CC=C4O)C(=O)C3=C2O)O)[C@H](C1)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O MCULE-8800393893 [1,0,0,0,0,0|0,0,0]=1 20 B41R5.4051685539 C[C@@H]1O[C@@H](C[C@@H]([C@H]1O)N)O[C@H]2C[C@](CC3=C(C4=C(C(=O)C5=C(C=CC=C5C4=O)O)C(=C23)O)O)(O)[C@@H](C)O MCULE-8653859423 [1,0,0,0,0,0|0,0,2]=3 21 B41R5.4051685539 [C@@H]1(C[C@](CC2=C(C3=C(C(=O)C4=C(C3=O)C=CC=C4O)C(=C21)O)O)(O)C(=O)C)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N MCULE-8337547015 [1,0,0,0,0,0|0,0,0]=1 22 B41R5.4051685539 [C@@H]1(C[C@](CC2=C(C3=C(C(=O)C4=C(C3=O)C=CC=C4O)C(=C21)O)O)(O)C(=O)C)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)[NH3+] MCULE-5417656404 [1,0,0,0,0,0|0,0,1]=2 23 B43R5.5093329558 COC1=C2C(=O)C3=C(C(=O)C2=CC=C1)C(=C4CC(CC(C4=C3O)OC5CC(C(C(O5)C)O)N)(O)C(=O)CO)O MCULE-1987806380 [0,1,0,0,0,0|0,0,0]=1 24 B43R5.5093329558 COC1=C2C(=O)C3=C(C(=O)C2=CC=C1)C(=C4C[C@@](C[C@@H](C4=C3O)OC5CC(C(C(O5)C)O)N)(O)C(=O)CO)O MCULE-5525028523 [0,1,0,0,0,0|0,0,0]=1 25 B43R5.5093329558 COC1=C2C(=O)C3=C(C(=O)C2=CC=C1)C(=C4C[C@@](C[C@@H](C4=C3O)OC5CC(C(C(O5)C)O)N)(O)C(=O)CO)O MCULE-9735088477 [0,1,0,0,0,0|0,0,0]=1 26 B43R5.5093329558 COC1=C2C(=O)C3=C(C(=O)C2=CC=C1)C(=C4C[C@@](C[C@@H](C4=C3O)O[C@@H]5CC([C@H]([C@H](O5)C)O)N)(O)C(=O)CO)O MCULE-6090204570 [0,1,0,0,0,0|0,0,0]=1 27 B43R5.5093329558 COC1=C2C(=O)C3=C(C(=O)C2=CC=C1)C(=C4C[C@@](C[C@@H](C4=C3O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(O)C(=O)CO)O MCULE-4188577717 [0,1,0,0,0,0|0,0,0]=1 28 B43R5.5093329558 COC1=C2C(=O)C3=C(C(=O)C2=CC=C1)C(=C4C[C@@](C[C@@H](C4=C3O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(O)C(=O)CO)O MCULE-5540454667 [0,1,0,0,0,0|0,0,0]=1 29 B43R5.5093329558 COC1=C2C(=O)C3=C(C4=C(CC(CC4OC5CC(C(C(O5)C)O)N)(O)C(=O)CO)C(=C3C(=O)C2=CC=C1)O)O MCULE-6113615344 [0,1,0,0,0,0|0,0,0]=1 30 B43R5.5093329558 COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=C4CC(CC(C4=C3O)OC5CC(C(C(O5)C)O)N)(O)C(O)CO)O MCULE-3782343408 [0,1,0,0,0,0|0,0,2]=3 31 B43R5.5093329558 COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=C4C[C@@](C[C@@H](C4=C3O)O[C@@H]5C[C@H]([C@@H]([C@H](O5)C)O)N)(O)C(=O)CO)O MCULE-3203556051 [0,1,0,0,0,0|0,0,0]=1 32 B43R5.5093329558 COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=C4C[C@@](C[C@@H](C4=C3O)O[C@@H]5C[C@H]([C@@H]([C@H](O5)C)O)N)(O)C(=O)CO)O MCULE-6049463468 [0,1,0,0,0,0|0,0,0]=1 33 B43R5.5093329558 COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=C4C[C@@](C[C@@H](C4=C3O)O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O)N)(O)C(O)CO)O MCULE-3352417407 [0,1,0,0,0,0|0,0,2]=3 34 B43R5.5093329558 COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=C4C[C@@](C[C@@H](C4=C3O)O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O)N)(O)C(O)CO)O MCULE-7147668391 [0,1,0,0,0,0|0,0,2]=3 35 B43R5.5093329558 COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@@](C[C@@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(O)C(=O)CO)C(=C3C2=O)O)O MCULE-5242063683 [0,1,0,0,0,0|0,0,0]=1 36 B43R5.5093329558 COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@@](C[C@@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(O)C(=O)CO)C(=C3C2=O)O)O MCULE-8425762652 [0,1,0,0,0,0|0,0,0]=1 37 B43R5.5093329558 COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@@](C[C@@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(O)[C@@H](O)CO)C(=C3C2=O)O)O MCULE-4767433486 [0,1,0,0,0,0|0,0,2]=3 38 B43R5.5093329558 COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@@](C[C@@H]4O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O)N)(O)C(=O)CO)C(=C3C2=O)O)O MCULE-1921543131 [0,1,0,0,0,0|0,0,0]=1 39 B43R5.5093329558 COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@@](C[C@@H]4O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O)N)(O)C(=O)CO)C(=C3C2=O)O)O MCULE-2775830090 [0,1,0,0,0,0|0,0,0]=1 40 B43R5.5093329558 [C@@H]1(C[C@@H]([C@H]([C@@H](O1)C)O)N)O[C@H]2C[C@](CC3=C2C(=C4C(=O)C5=C(C=CC=C5C(=O)C4=C3O)OC)O)(O)C(=O)CO MCULE-2449113887 [0,1,0,0,0,0|0,0,0]=1 41 B43R5.5093329558 [C@@H]1(C[C@@H]([C@H]([C@@H](O1)C)O)N)O[C@H]2C[C@](CC3=C2C(=C4C(=O)C5=C(C=CC=C5C(=O)C4=C3O)OC)O)(O)C(=O)CO MCULE-7266533936 [0,1,0,0,0,0|0,0,0]=1 42 B43R5.5093329558 [C@@H]1(C[C@](CC2=C(C3=C(C(=O)C4=C(C3=O)C=CC=C4OC)C(=C21)O)O)(O)C(=O)CO)O[C@@H]5C[C@@H]([C@H]([C@@H](O5)C)O)N MCULE-5309244678 [0,1,0,0,0,0|0,0,0]=1 43 B43R5.5093329558 [C@@H]1(C[C@](CC2=C(C3=C(C(=O)C4=C(C3=O)C=CC=C4OC)C(=C21)O)O)(O)C(=O)CO)O[C@@H]5C[C@@H]([C@H]([C@@H](O5)C)O)N MCULE-6816511112 [0,1,0,0,0,0|0,0,0]=1 44 B40R5.1919124223 CC[C@@]1(CC2=C(C3=C(C(=O)C4=C(C=CC=C4C3=O)O)C(=C2[C@H](C1)OC5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O)O)O MCULE-3762415954 [2,0,0,0,0,0|0,0,1]=3 45 B40R5.3973978471 CC(=O)C1(CC2=C(C(=C3C(=O)C4=C(C=CC=C4)C(=O)C3=C2O)O)C(C1)OC5CC(C(C(O5)C)O)N)O MCULE-4452905608 [2,0,0,0,0,0|0,0,0]=2 46 B40R5.3973978471 CC(=O)C1(CC2=C(C(=C3C(=O)C4=C(C=CC=C4)C(=O)C3=C2O)O)C(C1)OC5CC(C(C(O5)C)O)N)O MCULE-6347433254 [2,0,0,0,0,0|0,0,0]=2 47 B40R5.3973978471 CC(=O)[C@@]1(CC2=C(C(=C3C(=O)C4=C(C=CC=C4)C(=O)C3=C2O)O)[C@H](C1)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O MCULE-1025464251 [2,0,0,0,0,0|0,0,0]=2 48 B40R5.3973978471 CC(=O)[C@@]1(CC2=C(C(=C3C(=O)C4=C(C=CC=C4)C(=O)C3=C2O)O)[C@H](C1)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O MCULE-5557674101 [2,0,0,0,0,0|0,0,0]=2 49 B40R5.3973978471 CC(=O)[C@@]1(CC2=C(C(=C3C(=O)C4=C(C=CC=C4)C(=O)C3=C2O)O)[C@H](C1)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O MCULE-6875190074 [2,0,0,0,0,0|0,0,0]=2 50 B40R5.3973978471 CC(=O)[C@@]1(CC2=C(C(=C3C(=O)C4=C(C=CC=C4)C(=O)C3=C2O)O)[C@H](C1)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O MCULE-7724923243 [2,0,0,0,0,0|0,0,0]=2 51 B40R5.3973978471 [C@@H]1(C[C@](CC2=C1C(=C3C(=O)C4=C(C=CC=C4)C(=O)C3=C2O)O)(O)C(=O)C)OC5CC(C(C(O5)C)O)N MCULE-2011181732 [2,0,0,0,0,0|0,0,0]=2 52 B40R5.3973978471 [C@@H]1(C[C@](CC2=C1C(=C3C(=O)C4=C(C=CC=C4)C(=O)C3=C2O)O)(O)C(=O)C)OC5CC(C(C(O5)C)O)N MCULE-5234902733 [2,0,0,0,0,0|0,0,0]=2 53 B40R5.3973978471 [C@@H]1(C[C@](CC2=C1C(=C3C(=O)C4=C(C=CC=C4)C(=O)C3=C2O)O)(O)C(=O)C)OC5C[C@@H]([C@@H]([C@@H](O5)C)O)N MCULE-6975270745 [2,0,0,0,0,0|0,0,0]=2 54 B42R5.3540636693 COC1=CC=CC2=C1C(=N)C3=C(C4=C(C[C@@](C[C@@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(O)CCO)C(=C3C2=O)O)O MCULE-1043876704 [1,1,0,0,0,0|1,0,1]=4