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CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@@H](C)O MCULE-7147525043 [1,0,1,0,0,0|0,0,0]=2 63 B13R0.1132 CC(=O)N[C@H](C=O)[C@H](O)[C@H](O)[C@H](C)O MCULE-2283102421 [1,0,1,0,0,0|0,0,0]=2 64 B15R0.767 CCC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-1436024108 [0,1,1,0,0,0|0,0,0]=2 65 B15R0.767 CCC(=O)N[C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-4160143205 [0,1,1,0,0,0|0,0,0]=2 66 B15R0.4927 O=CC(NS(=O)(=O)[O-])C(O)C(O)C(O)CO MCULE-5831724071 [0,1,1,0,0,0|2,0,0]=4 67 B15R0.4927 O=CC(NS(=O)(=O)[O-])C(O)C(O)C(O)CO MCULE-9545545693 [0,1,1,0,0,0|2,0,0]=4 68 B15R0.4927 O=C[C@@H](NS(=O)(=O)[O-])[C@H](O)[C@@H](O)[C@@H](O)CO MCULE-1008217961 [0,1,1,0,0,0|2,0,0]=4 69 B15R0.4927 O=C[C@@H](NS(=O)(=O)[O-])[C@H](O)[C@@H](O)[C@@H](O)CO MCULE-6165122004 [0,1,1,0,0,0|2,0,0]=4 70 B15R0.4927 O=C[C@H](NS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-3531795197 [0,1,1,0,0,0|2,0,0]=4 71 B15R0.4927 O=C[C@H](NS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H](O)CO MCULE-1003947427 [0,1,1,0,0,0|2,0,0]=4 72 B15R0.4927 O=C[C@H](NS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H](O)CO MCULE-2341397781 [0,1,1,0,0,0|2,0,0]=4 73 B15R0.4927 O=C[C@H](NS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H](O)CO MCULE-4954077041 [0,1,1,0,0,0|2,0,0]=4 74 B15R0.4927 O=C[C@H](NS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H](O)CO MCULE-5284080105 [0,1,1,0,0,0|2,0,0]=4 75 B15R0.4927 O=C[C@H](NS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H](O)CO MCULE-5558454899 [0,1,1,0,0,0|2,0,0]=4 76 B15R0.4927 O=C[C@H](NS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H](O)CO MCULE-8127344387 [0,1,1,0,0,0|2,0,0]=4 77 B15R0.4927 O=C[C@H](NS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H](O)CO MCULE-8951711145 [0,1,1,0,0,0|2,0,0]=4 78 B17R1.85218 CC(=O)NC1C(OC(C(C1O)O)CO)N=N#N MCULE-4874605334 [0,2,0,0,0,0|1,0,1]=4 79 B17R1.85218 CC(=O)N[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO)N=[N+]=[N-] MCULE-4094328549 [0,2,0,0,0,0|1,0,1]=4 80 B17R1.85218 CCOC1OC(C(C(C1NC(=O)C)O)O)CO MCULE-9539913265 [0,2,0,0,0,0|0,0,2]=4 81 B17R1.85218 CCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1NC(=O)C)O)O)CO MCULE-3529602147 [0,2,0,0,0,0|0,0,2]=4 82 B17R1.85218 CCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1NC(=O)C)O)O)CO MCULE-9583230476 [0,2,0,0,0,0|0,0,2]=4 83 B17R1.173820 CCCC(=O)N[C@H]1C(O[C@@H]([C@H]([C@@H]1O)O)CO)O MCULE-1700279623 [0,2,0,0,0,0|0,0,2]=4 84 B17R1.173820 CCCC(=O)N[C@H]1C(O[C@@H]([C@H]([C@@H]1O)O)CO)O MCULE-2916662519 [0,2,0,0,0,0|0,0,2]=4 85 B15R1.11568 CC(=O)NC1C(=O)OC(C1O)C(O)CO MCULE-5355576201 [0,0,1,1,0,0|0,0,0]=2 86 B15R1.11568 [C@H]1(OC(=O)[C@@H]([C@H]1O)NC(=O)C)[C@H](O)CO MCULE-6138828442 [0,0,1,1,0,0|0,0,0]=2 87 B15R1.15104 CC(=O)NCC(=O)N[C@@H]1CC[C@H]([C@@H]1O)O MCULE-9996321654 [0,0,1,1,0,0|2,0,0]=4 88 B15R1.692 CC(=O)NC1C(C(OC(C1O)CO)O)O MCULE-2252344941 [0,0,0,0,1,1|0,0,2]=4 89 B15R1.692 CC(=O)N[C@H]1[C@@H]([C@H](OC([C@@H]1O)O)CO)O MCULE-5839277169 [0,0,0,0,1,1|0,0,2]=4