0 B14R0.170 C(O)(CO)C(O)C(O)C(O)C(O)C(=O)[O-] MCULE-7977504834 [0,0,0,0,0,0|0,0,1]=1 1 B14R0.170 O=C(O)C(O)C(O)C(O)C(O)C(O)CO MCULE-2362046665 [0,0,0,0,0,0|0,0,0]=0 2 B14R0.170 O=C(O)C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-5477109582 [0,0,0,0,0,0|0,0,0]=0 3 B14R0.170 O=C(O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-2431763888 [0,0,0,0,0,0|0,0,0]=0 4 B14R0.170 O=C(O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO MCULE-2338266763 [0,0,0,0,0,0|0,0,0]=0 5 B14R0.170 O=C(O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO MCULE-5950679506 [0,0,0,0,0,0|0,0,0]=0 6 B14R0.170 O=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-3862954012 [0,0,0,0,0,0|0,0,1]=1 7 B14R0.170 O=C([O-])[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-3839888991 [0,0,0,0,0,0|0,0,1]=1 8 B14R0.170 O=C([O-])[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO MCULE-2058966331 [0,0,0,0,0,0|0,0,1]=1 9 B13R0.134 O=N(=O)CC(O)C(O)C(O)C(O)CO MCULE-6156383944 [1,0,0,0,0,0|1,0,1]=3 10 B13R0.134 O=[N+]([O-])CC(O)[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-3358777668 [1,0,0,0,0,0|1,0,1]=3 11 B13R0.134 O=[N+]([O-])C[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO MCULE-6825422732 [1,0,0,0,0,0|1,0,1]=3 12 B13R0.134 O=[N+]([O-])C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-8262157096 [1,0,0,0,0,0|1,0,1]=3 13 B13R0.137 C(O)(CO)C(O)C(O)C(O)C(O)CO MCULE-7250534605 [1,0,0,0,0,0|0,0,1]=2 14 B13R0.137 O=C(CO)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-2030688194 [1,0,0,0,0,0|0,0,3]=4 15 B13R0.137 O=C(CO)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-8323776299 [1,0,0,0,0,0|0,0,3]=4 16 B13R0.137 O=C(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO MCULE-9891714985 [1,0,0,0,0,0|0,0,3]=4 17 B13R0.137 O=CC(O)C(O)C(O)C(O)C(O)CO MCULE-5619186736 [1,0,0,0,0,0|0,0,0]=1 18 B13R0.137 O=C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO MCULE-5049622134 [1,0,0,0,0,0|0,0,0]=1 19 B13R0.137 O=C[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-6675927561 [1,0,0,0,0,0|0,0,0]=1 20 B13R0.137 O=C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-4017900014 [1,0,0,0,0,0|0,0,0]=1 21 B13R0.137 OC[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H](O)CO MCULE-6300389702 [1,0,0,0,0,0|0,0,1]=2 22 B13R0.137 OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-1267514691 [1,0,0,0,0,0|0,0,1]=2 23 B13R0.137 OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO MCULE-5653837195 [1,0,0,0,0,0|0,0,1]=2 24 B13R0.137 OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO MCULE-7474742921 [1,0,0,0,0,0|0,0,1]=2 25 B13R0.1233 O=C(O)C(O)C(O)C(O)C(O)C(=O)O MCULE-4740161184 [1,0,0,0,0,0|0,0,2]=3 26 B13R0.1233 O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O MCULE-6511021511 [1,0,0,0,0,0|0,0,2]=3 27 B13R0.1233 O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O MCULE-8589629018 [1,0,0,0,0,0|0,0,2]=3 28 B13R0.1233 O=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)[O-] MCULE-3392000783 [1,0,0,0,0,0|0,0,3]=4 29 B13R0.1233 O=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)[O-] MCULE-3508530953 [1,0,0,0,0,0|0,0,3]=4 30 B13R0.1233 O=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)[O-] MCULE-4154100921 [1,0,0,0,0,0|0,0,3]=4 31 B13R0.1233 O=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)[O-] MCULE-9792534502 [1,0,0,0,0,0|0,0,3]=4 32 B13R0.1233 O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O MCULE-9382501315 [1,0,0,0,0,0|0,0,2]=3 33 B13R0.1233 O=C([O-])C(O)C(O)C(O)C(O)C(=O)O MCULE-9088744769 [1,0,0,0,0,0|0,0,3]=4 34 B13R0.1233 O=C([O-])[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O MCULE-3171464631 [1,0,0,0,0,0|0,0,3]=4 35 B13R0.1233 O=C([O-])[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O MCULE-6993833742 [1,0,0,0,0,0|0,0,3]=4 36 B15R1.3536 C[C@@H](O)[C@@H](N)[C@H]1OC([C@@H]([C@H]([C@H]1O)O)O)O MCULE-8877910308 [0,0,0,1,0,0|2,0,1]=4 37 B15R0.159 O=C(O)C(=O)C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-3856446060 [0,0,0,0,0,1|0,0,2]=3 38 B15R0.159 O=C(O)C(=O)C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-8637785135 [0,0,0,0,0,1|0,0,2]=3 39 B12R0.196 C(O)(CO)C(O)C(O)C(O)CNC MCULE-1057960697 [2,0,0,0,0,0|2,0,0]=4 40 B12R0.196 CNCC(O)C(O)C(O)C(O)CO MCULE-4967069764 [2,0,0,0,0,0|2,0,0]=4 41 B12R0.196 CNC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-6945868810 [2,0,0,0,0,0|2,0,0]=4 42 B12R0.196 CNC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-7142657209 [2,0,0,0,0,0|2,0,0]=4 43 B12R0.196 CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-1765381717 [2,0,0,0,0,0|2,0,0]=4 44 B12R0.196 CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-4436966604 [2,0,0,0,0,0|2,0,0]=4 45 B12R0.196 CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-5046718825 [2,0,0,0,0,0|2,0,0]=4 46 B12R0.196 CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-6298195895 [2,0,0,0,0,0|2,0,0]=4 47 B12R0.196 CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-7702377679 [2,0,0,0,0,0|2,0,0]=4 48 B12R0.196 COC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O MCULE-5716584474 [2,0,0,0,0,0|2,0,0]=4 49 B12R0.196 COC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O MCULE-7271949125 [2,0,0,0,0,0|2,0,0]=4 50 B12R0.87 C(O)(C=O)C(O)C(O)C(O)C(=O)O MCULE-1078317389 [2,0,0,0,0,0|0,0,2]=4 51 B12R0.87 C(O)(CO)C(O)C(O)C(O)C(=O)O MCULE-6716661574 [2,0,0,0,0,0|0,0,0]=2 52 B12R0.87 NC(=O)C(O)C(O)C(O)C(O)CO MCULE-9746102771 [2,0,0,0,0,0|1,0,0]=3 53 B12R0.87 NC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO MCULE-7043291192 [2,0,0,0,0,0|1,0,0]=3 54 B12R0.87 NC(C(=O)O)C(O)C(O)C(O)CO MCULE-2578964021 [2,0,0,0,0,0|1,0,0]=3 55 B12R0.87 N[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-2215825150 [2,0,0,0,0,0|1,0,0]=3 56 B12R0.87 O=C(CO)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O MCULE-1314711946 [2,0,0,0,0,0|0,0,2]=4 57 B12R0.87 O=C(CO)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O MCULE-5548502607 [2,0,0,0,0,0|0,0,2]=4 58 B12R0.87 O=C(O)C(=O)C(O)C(O)C(O)CO MCULE-6759601194 [2,0,0,0,0,0|0,0,2]=4 59 B12R0.87 O=C(O)C(=O)[C@@H](O)[C@H](O)[C@@H](O)CO MCULE-4767318962 [2,0,0,0,0,0|0,0,2]=4 60 B12R0.87 O=C(O)C(=O)[C@@H](O)[C@H](O)[C@@H](O)CO MCULE-7308942850 [2,0,0,0,0,0|0,0,2]=4 61 B12R0.87 O=C(O)C(=O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-7272021556 [2,0,0,0,0,0|0,0,2]=4 62 B12R0.87 O=C(O)C(O)C(O)C(O)C(=O)CO MCULE-5029546134 [2,0,0,0,0,0|0,0,2]=4 63 B12R0.87 O=C(O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO MCULE-5504855083 [2,0,0,0,0,0|0,0,2]=4 64 B12R0.87 O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO MCULE-2959607437 [2,0,0,0,0,0|0,0,0]=2 65 B12R0.87 O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO MCULE-5906250916 [2,0,0,0,0,0|0,0,0]=2 66 B12R0.87 O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-4464242267 [2,0,0,0,0,0|0,0,0]=2 67 B12R0.87 O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-9166033800 [2,0,0,0,0,0|0,0,0]=2 68 B12R0.87 O=C([O-])C(O)C(O)C(O)C(O)CO MCULE-4375034599 [2,0,0,0,0,0|0,0,1]=3 69 B12R0.87 O=C([O-])C(O)C(O)C(O)C(O)CO MCULE-8846702445 [2,0,0,0,0,0|0,0,1]=3 70 B12R0.87 O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-1174764709 [2,0,0,0,0,0|0,0,1]=3 71 B12R0.87 O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-1372690112 [2,0,0,0,0,0|0,0,1]=3 72 B12R0.87 O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-4839468789 [2,0,0,0,0,0|0,0,1]=3 73 B12R0.87 O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-9480677823 [2,0,0,0,0,0|0,0,1]=3 74 B12R0.87 O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-9490777871 [2,0,0,0,0,0|0,0,1]=3 75 B12R0.87 O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O MCULE-1719261621 [2,0,0,0,0,0|0,0,2]=4 76 B12R0.87 O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O MCULE-8593637998 [2,0,0,0,0,0|0,0,2]=4 77 B12R0.87 O=C[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O MCULE-6087676189 [2,0,0,0,0,0|0,0,2]=4 78 B12R0.87 O=C[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O MCULE-8094389425 [2,0,0,0,0,0|0,0,2]=4 79 B12R0.87 O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O MCULE-2165194336 [2,0,0,0,0,0|0,0,2]=4 80 B12R0.87 O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O MCULE-4295837104 [2,0,0,0,0,0|0,0,2]=4 81 B12R0.87 O=C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)C(=O)O MCULE-6076936511 [2,0,0,0,0,0|0,0,2]=4 82 B12R0.87 [NH3+][C@@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H](O)CO MCULE-1636767609 [2,0,0,0,0,0|1,0,1]=4 83 B14R0.168 CC(=O)NC(CO)C(O)C(O)C(O)CO MCULE-7473965418 [1,1,0,0,0,0|2,0,0]=4 84 B14R0.168 CC(=O)N[C@@H](CO)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-6179655445 [1,1,0,0,0,0|2,0,0]=4 85 B14R1.2876 OCC(O)C1OC(C(C(C1O)O)O)O MCULE-3318594851 [1,0,0,1,0,0|0,0,2]=4 86 B14R1.9826 NC(=O)C1(OC(C(C(C1O)O)O)O)O MCULE-4889914510 [1,0,0,1,0,0|2,0,0]=4 87 B14R1.569 COC1OC(C(C(C1O)O)O)C(=O)O MCULE-3461375594 [1,0,0,1,0,0|2,0,0]=4 88 B14R1.569 CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O MCULE-9918375960 [1,0,0,1,0,0|2,0,0]=4 89 B14R1.997 O=C1OC(C(=C1O)O)C(O)C(O)CO MCULE-9790136985 [1,0,0,1,0,0|0,0,2]=4 90 B14R1.997 O=C1OC(C(C1O)O)C(O)C(O)CO MCULE-1987518564 [1,0,0,1,0,0|0,0,0]=2 91 B14R1.997 O=C1O[C@@H]([C@H]([C@H]1O)O)[C@@H](O)[C@H](O)CO MCULE-2525712219 [1,0,0,1,0,0|0,0,0]=2 92 B14R1.997 O=C1O[C@@H]([C@H]([C@H]1O)O)[C@@H](O)[C@H](O)CO MCULE-2537471004 [1,0,0,1,0,0|0,0,0]=2 93 B14R1.997 O=C1O[C@H]([C@H]([C@H]1O)O)[C@H](O)[C@@H](O)CO MCULE-2741782927 [1,0,0,1,0,0|0,0,0]=2 94 B14R1.997 O=C1O[C@H]([C@H]([C@H]1O)O)[C@H](O)[C@H](O)CO MCULE-5867484099 [1,0,0,1,0,0|0,0,0]=2 95 B14R1.1726 OCC1COCC(C(C(C1O)O)O)O MCULE-9768486939 [1,0,0,1,0,0|1,0,1]=4 96 B14R1.7035 OCC1OC(C(C(C1O)O)O)(O)CO MCULE-5793844008 [1,0,0,1,0,0|0,0,1]=3 97 B14R1.7035 OC[C@H]1OC([C@H]([C@H]([C@@H]1O)O)O)(O)CO MCULE-5956882022 [1,0,0,1,0,0|0,0,1]=3 98 B14R1.10941 OC[C@H]1O[C@@]([C@@H]([C@@H]1O)O)(O)[C@H](O)CO MCULE-7033384705 [1,0,0,1,0,0|0,0,1]=3 99 B16R1.5425 C(O)(CO)C(O)C(O)C1NC(CS1)C(=O)O MCULE-5246139153 [0,0,0,1,0,1|1,1,0]=4 100 B16R1.5425 O=C(O)[C@@H]1CSC(N1)[C@@H](O)[C@H](O)[C@@H](O)CO MCULE-7571842465 [0,0,0,1,0,1|1,1,0]=4 101 B16R1.5425 O=C(O)[C@@H]1CSC(N1)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-2007982186 [0,0,0,1,0,1|1,1,0]=4 102 B16R1.5425 O=C(O)[C@@H]1CSC(N1)[C@H](O)[C@@H](O)[C@@H](O)CO MCULE-3968009826 [0,0,0,1,0,1|1,1,0]=4 103 B16R1.5425 O=C(O)[C@@H]1CSC(N1)[C@H](O)[C@@H](O)[C@H](O)CO MCULE-6007044289 [0,0,0,1,0,1|1,1,0]=4 104 B16R1.5425 O=C(O)[C@@H]1CSC(N1)[C@H](O)[C@H](O)[C@H](O)CO MCULE-3959556439 [0,0,0,1,0,1|1,1,0]=4 105 B16R1.5425 [C@H]1(N[C@@H](CS1)C(=O)O)[C@H](O)[C@@H](O)[C@H](O)CO MCULE-9148900650 [0,0,0,1,0,1|1,1,0]=4 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