0 B26R4.633963423 C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C MCULE-4003028645 [0,0,0,0,0,0|0,0,0]=0 1 B26R4.633963423 C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C MCULE-9148232132 [0,0,0,0,0,0|0,0,0]=0 2 B26R4.633963423 C[N+]1([C@H]2CC(C[C@@H]1[C@@H]3[C@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)[O-] MCULE-3778548269 [0,0,0,0,0,0|1,0,0]=1 3 B26R4.633963423 C[N+]1([C@H]2CC(C[C@@H]1[C@@H]3[C@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)[O-] MCULE-9189204513 [0,0,0,0,0,0|1,0,0]=1 4 B26R4.633963423 C[N+]1([C@H]2C[C@@H](C[C@@H]1[C@@H]3[C@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C MCULE-2387598119 [0,0,0,0,0,0|0,0,0]=0 5 B26R4.633963423 C[N+]1([C@H]2C[C@@H](C[C@@H]1[C@@H]3[C@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C MCULE-4842611277 [0,0,0,0,0,0|0,0,0]=0 6 B26R4.633963423 C[N+]1([C@H]2C[C@@H](C[C@@H]1[C@@H]3[C@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C MCULE-7324716873 [0,0,0,0,0,0|0,0,0]=0 7 B26R4.633963423 [C@@H]12O[C@@H]1[C@H]3C[C@H](C[C@@H]2[N+]3(C)C)OC(=O)[C@H](CO)C4=CC=CC=C4 MCULE-1049895234 [0,0,0,0,0,0|0,0,0]=0 8 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MCULE-4026899885 [1,0,0,0,0,0|0,0,1]=2 17 B25R4.6752349357 CN1[C@H]2C[C@@H](C[C@@H]1[C@@H]3[C@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4 MCULE-7614327332 [1,0,0,0,0,0|0,0,1]=2 18 B25R4.6752349357 [C@@H]12C[C@@H](C[C@@H](N1C)[C@@H]3[C@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4 MCULE-3029278491 [1,0,0,0,0,0|0,0,1]=2 19 B25R4.6752349357 [C@@H]12C[C@@H](C[C@@H](N1C)[C@@H]3[C@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4 MCULE-8145936025 [1,0,0,0,0,0|0,0,1]=2 20 B25R4.6752349357 [C@@H]12C[C@@H](C[C@@H](N1C)[C@@H]3[C@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4 MCULE-8278287343 [1,0,0,0,0,0|0,0,1]=2 21 B25R4.6752349357 [C@@H]12C[C@@H](C[C@@H](N1C)[C@@H]3[C@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4 MCULE-9125571873 [1,0,0,0,0,0|0,0,1]=2 22 B25R4.6752349357 [C@@H]12C[C@@H](C[C@H](N1C)[C@@H]3[C@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4 MCULE-8063104433 [1,0,0,0,0,0|0,0,1]=2 23 B27R4.596535207 CC[N@+]1([C@H]2C[C@@H](C[C@@H]1[C@@H]3[C@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C MCULE-3008347649 [0,1,0,0,0,0|0,0,0]=1 24 B27R4.596535207 CC[N@+]1([C@H]2C[C@@H](C[C@@H]1[C@@H]3[C@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C MCULE-4179322838 [0,1,0,0,0,0|0,0,0]=1 25 B25R3.393911431 C[N+]1(C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3)C MCULE-3451066591 [0,0,1,0,0,0|0,0,0]=1 26 B25R3.393911431 C[N+]1(C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3)C MCULE-5497893443 [0,0,1,0,0,0|0,0,0]=1 27 B24R3.423483848 C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C MCULE-1521238572 [1,0,1,0,0,0|0,0,0]=2 28 B24R3.423483848 C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C MCULE-7044673430 [1,0,1,0,0,0|0,0,0]=2 29 B24R3.423483848 C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C MCULE-7662254879 [1,0,1,0,0,0|0,0,0]=2 30 B24R3.423483848 C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C MCULE-9236781222 [1,0,1,0,0,0|0,0,0]=2 31 B24R3.423483848 C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)[O-] MCULE-2059959503 [1,0,1,0,0,0|1,0,0]=3 32 B24R3.423483848 C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)[O-] MCULE-4838979914 [1,0,1,0,0,0|1,0,0]=3 33 B24R3.423483848 C[N+]1([C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C MCULE-7979171950 [1,0,1,0,0,0|0,0,0]=2 34 B24R3.423483848 C[N+]1([C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C MCULE-8761814750 [1,0,1,0,0,0|0,0,0]=2 35 B24R3.423483848 C[N+]1([C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)[O-] MCULE-8322649751 [1,0,1,0,0,0|1,0,0]=3 36 B24R3.423483848 C[N+]1([C@H]2CC[C@@H]1CC(C2)OC(=O)[C@@H](CO)C3=CC=CC=C3)C MCULE-6903192068 [1,0,1,0,0,0|0,0,0]=2 37 B24R3.423483848 C[N+]1([C@H]2CC[C@@H]1CC(C2)OC(=O)[C@@H](CO)C3=CC=CC=C3)C MCULE-9983946385 [1,0,1,0,0,0|0,0,0]=2 38 B24R3.423483848 C[N+]1([C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C3=CC=CC=C3)C MCULE-4092168775 [1,0,1,0,0,0|0,0,0]=2 39 B24R3.423483848 C[N+]1([C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C3=CC=CC=C3)C MCULE-5250866716 [1,0,1,0,0,0|0,0,0]=2 40 B24R3.423483848 C[N+]1([C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C3=CC=CC=C3)C MCULE-5369083465 [1,0,1,0,0,0|0,0,0]=2 41 B24R3.423483848 C[N+]1([C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C3=CC=CC=C3)C MCULE-5695060879 [1,0,1,0,0,0|0,0,0]=2 42 B24R3.423483848 C[N+]1([C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C3=CC=CC=C3)C MCULE-7396014010 [1,0,1,0,0,0|0,0,0]=2 43 B24R3.423483848 C[N+]1([C@H]2CC[C@@H]1C[C@H](C2)OC(=O)C(CO)C3=CC=CC=C3)C MCULE-4263994756 [1,0,1,0,0,0|0,0,0]=2 44 B24R3.423483848 C[N+]1([C@H]2CC[C@@H]1C[C@H](C2)OC(=O)C(CO)C3=CC=CC=C3)C MCULE-8349612160 [1,0,1,0,0,0|0,0,0]=2 45 B24R3.423483894 CN1C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3 MCULE-5255660147 [1,0,1,0,0,0|0,0,1]=3 46 B24R3.423483894 CN1C2CC(CC1C(C2)O)OC(=O)[C@H](CO)C3=CC=CC=C3 MCULE-5841416533 [1,0,1,0,0,0|0,0,1]=3 47 B24R3.423483894 CN1C2C[C@@H](CC1[C@H](C2)O)OC(=O)[C@H](CO)C3=CC=CC=C3 MCULE-3237506333 [1,0,1,0,0,0|0,0,1]=3 48 B24R3.423483894 CN1C2C[C@@H](CC1[C@H](C2)O)OC(=O)[C@H](CO)C3=CC=CC=C3 MCULE-3755644767 [1,0,1,0,0,0|0,0,1]=3 49 B24R3.423483894 CN1[C@H]2C[C@@H](C[C@@H]1[C@H](C2)O)OC(=O)[C@H](CO)C3=CC=CC=C3 MCULE-4539230825 [1,0,1,0,0,0|0,0,1]=3 50 B24R3.423483894 CN1[C@H]2C[C@@H](C[C@@H]1[C@H](C2)O)OC(=O)[C@H](CO)C3=CC=CC=C3 MCULE-9631538545 [1,0,1,0,0,0|0,0,1]=3 51 B24R3.423483894 C[NH+]1C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3 MCULE-9174494260 [1,0,1,0,0,0|0,0,0]=2 52 B24R3.423483894 [C@@H]12C[C@@H](C[C@@H](N1C)[C@H](C2)O)OC(=O)[C@H](CO)C3=CC=CC=C3 MCULE-2186113389 [1,0,1,0,0,0|0,0,1]=3 53 B24R3.423483894 [C@H](CO)(C(=O)O[C@@H]1C[C@@H]2C[C@H]([C@H](C1)N2C)O)C3=CC=CC=C3 MCULE-2778105839 [1,0,1,0,0,0|0,0,1]=3 54 B24R3.423483894 [C@H](CO)(C(=O)O[C@@H]1C[C@@H]2C[C@H]([C@H](C1)N2C)O)C3=CC=CC=C3 MCULE-3161322920 [1,0,1,0,0,0|0,0,1]=3 55 B24R3.423483894 [C@H](CO)(C(=O)O[C@H]1C[C@H]2C[C@@H]([C@@H](C1)N2C)O)C3=CC=CC=C3 MCULE-3459933530 [1,0,1,0,0,0|0,0,1]=3 56 B24R3.423483894 [C@H](CO)(C(=O)O[C@H]1C[C@H]2C[C@@H]([C@@H](C1)N2C)O)C3=CC=CC=C3 MCULE-9752618201 [1,0,1,0,0,0|0,0,1]=3 57 B24R3.423483894 [C@H]12C[C@@H](C[C@H](N1C)[C@@H](C2)O)OC(=O)[C@H](CO)C3=CC=CC=C3 MCULE-2900384139 [1,0,1,0,0,0|0,0,1]=3 58 B24R3.423483894 [C@H]12C[C@@H](C[C@H](N1C)[C@H](C2)O)OC(=O)[C@H](CO)C3=CC=CC=C3 MCULE-2478236650 [1,0,1,0,0,0|0,0,1]=3 59 B24R3.423483894 [C@H]12C[C@@H](C[C@H](N1C)[C@H](C2)O)OC(=O)[C@H](CO)C3=CC=CC=C3 MCULE-4524604184 [1,0,1,0,0,0|0,0,1]=3 60 B24R4.1060881090 O=C(OC1CC2NC(C1)C3C2O3)C(CO)C4=CC=CC=C4 MCULE-9057544979 [2,0,0,0,0,0|0,0,1]=3 61 B24R4.1060881090 O=C(O[C@H]1C[C@@H]2N[C@H](C1)[C@@H]3[C@H]2O3)C(CO)C4=CC=CC=C4 MCULE-2373510647 [2,0,0,0,0,0|0,0,1]=3 62 B24R4.1060881090 O=C(O[C@H]1C[C@@H]2N[C@H](C1)[C@@H]3[C@H]2O3)[C@H](CO)C4=CC=CC=C4 MCULE-3657427647 [2,0,0,0,0,0|0,0,1]=3 63 B26R3.1212558878 CC[N+]1(C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3)C MCULE-4322140120 [0,1,1,0,0,0|0,0,0]=2 64 B26R3.1212558878 CC[N+]1(C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3)C MCULE-4946701713 [0,1,1,0,0,0|0,0,0]=2 65 B26R4.1599821597 CN1[C@H]2CC(C[C@@H]1[C@@H]3[C@H]2O3)OC(=O)[C@@](O)(CO)C4=CC=CC=C4 MCULE-1471888126 [1,1,0,0,0,0|0,0,1]=3 66 B26R4.1599821597 CN1[C@H]2CC(C[C@@H]1[C@@H]3[C@H]2O3)OC(=O)[C@@](O)(CO)C4=CC=CC=C4 MCULE-1817947981 [1,1,0,0,0,0|0,0,1]=3 67 B26R4.1599821597 CN1[C@H]2C[C@@H](C[C@@H]1[C@@H]3[C@H]2O3)OC(=O)[C@@](O)(CO)C4=CC=CC=C4 MCULE-8311968031 [1,1,0,0,0,0|0,0,1]=3 68 B26R4.1599821597 CN1[C@H]2C[C@@H](C[C@@H]1[C@@H]3[C@H]2O3)OC(=O)[C@@](O)(CO)C4=CC=CC=C4 MCULE-9656488916 [1,1,0,0,0,0|0,0,1]=3