0 B29R4.8253908594 CC12C=CC(=O)C=C1CCC3[C@@H]2C(O)CC4(C)[C@H]3CC[C@]4(O)C(=O)CO Amb24312670 [0,0,0,0,0,0|0,0,0]=0 1 B29R4.8253908594 CC12CCC(=O)C=C1CCC3C2C(O)CC4(C)C3CCC4(O)C(=O)CS Amb22732513 [0,0,0,0,0,0|0,1,2]=3 2 B29R4.8253908594 C[C@@]12C=CC(=O)C=C1C=C[C@H]3[C@H]2[C@H](O)C[C@]4(C)[C@@H]3CC[C@@]4(O)C(=O)CO Amb19131468 [0,0,0,0,0,0|0,0,2]=2 3 B29R4.8253908594 C[C@@]12C=CC(=O)C=C1CC[C@H]3[C@H]2[C@H](O)C[C@]4(C)[C@@H]3CC[C@@]4(O)C(=O)CO Amb19297841 [0,0,0,0,0,0|0,0,0]=0 4 B29R4.8253908594 C[C@@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@]43C)[C@H]1CC[C@@]2(O)C(=O)C=O Amb19133691 [0,0,0,0,0,0|0,0,4]=4 5 B29R4.8253908594 C[C@@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@]43C)[C@H]1CC[C@@]2(O)C(=O)CO Amb19133689 [0,0,0,0,0,0|0,0,2]=2 6 B29R4.8253908594 C[C@@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@]43C)[C@H]1CC[C@@]2(O)[C@@H](O)CO Amb19132697 [0,0,0,0,0,0|0,0,4]=4 7 B29R4.8253908594 C[C@@]12CCC(=O)C=C1CC[C@H]3[C@H]2C(=O)C[C@]4(C)[C@@H]3CC[C@@]4(O)C(=O)CO Amb19131319 [0,0,0,0,0,0|0,0,4]=4 8 B29R4.8253908594 C[C@@]12CCC(=O)C=C1CC[C@H]3[C@H]2[C@H](O)C[C@]4(C)[C@@H]3CC[C@@]4(O)C(=O)C=O Amb19132525 [0,0,0,0,0,0|0,0,4]=4 9 B29R4.8253908594 C[C@@]12CCC(=O)C=C1CC[C@H]3[C@H]2[C@H](O)C[C@]4(C)[C@@H]3CC[C@@]4(O)C(=O)CO Amb19132527 [0,0,0,0,0,0|0,0,2]=2 10 B29R4.8253908594 C[C@@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@]43C)[C@H]1CC[C@@]2(O)C(=O)CN Amb22756770 [0,0,0,0,0,0|1,0,0]=1 11 B29R4.8253908594 C[C@@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@]43C)[C@H]1CC[C@@]2(O)[C@@H](O)CO Amb19132708 [0,0,0,0,0,0|0,0,2]=2 12 B29R4.8253908594 C[C@@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@]43C)[C@H]1CC[C@@]2(O)[C@H](O)CO Amb19132707 [0,0,0,0,0,0|0,0,2]=2 13 B29R4.8253908594 C[C@@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CC[C@@]2(O)[C@@H](O)CO Amb22799575 [0,0,0,0,0,0|0,0,4]=4 14 B29R4.8253908594 C[C@@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CC[C@@]2(O)[C@H](O)CO Amb22747938 [0,0,0,0,0,0|0,0,4]=4 15 B29R4.8253908594 NCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)CC(=O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C Amb15690688 [0,0,0,0,0,0|1,0,2]=3 16 B29R4.8253908594 NCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C Amb15690686 [0,0,0,0,0,0|1,0,0]=1 17 B29R4.8253908594 OCC(=O)C1(O)CCC2C1(C)CC(=O)C3C2CCC4=CC(=O)CCC34C Amb1783868 [0,0,0,0,0,0|0,0,4]=4 18 B29R4.8253908594 OCC(=O)[C@@]1(O)CCC2[C@]1(C)C[C@H](O)C3C2CCC4=CC(=O)C=C[C@]34C Amb10843706 [0,0,0,0,0,0|0,0,0]=0 19 B29R4.8253908594 [C@@H]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@@H](O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C Amb17772328 [0,0,0,0,0,0|0,0,2]=2 20 B28R4.967132669 CC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C Amb22730498 [1,0,0,0,0,0|0,0,0]=1 21 B28R4.967132669 C[C@@]12CC(=O)[C@@H]3C(CCC4=CC(=O)C=C[C@]43C)[C@H]1CC[C@@]2(O)C(O)=O Amb24123139 [1,0,0,0,0,0|0,0,2]=3 22 B28R4.967132669 C[C@@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@]43C)[C@H]1CC[C@@]2(O)C(O)=O Amb23437635 [1,0,0,0,0,0|0,0,0]=1 23 B28R4.1136611681 C[C@@]12CCC(=O)C=C1CC[C@H]3[C@H]2[C@H](O)C[C@@]4(C)[C@@H](CC[C@@H]43)C(=O)CO Amb19131316 [1,0,0,0,0,0|0,0,2]=3 24 B28R4.1146461172 CC12CCC3C(CCC4=CC(=O)CCC43C)C1CC[C@@]2(O)C(=O)CO Amb22757588 [1,0,0,0,0,0|0,0,2]=3 25 B28R4.1146461172 C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)C=C[C@]43C)[C@H]1CC[C@@]2(O)C(=O)CO Amb19131563 [1,0,0,0,0,0|0,0,0]=1 26 B28R4.1146461172 C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CC[C@@]2(O)C(=O)CO Amb19131509 [1,0,0,0,0,0|0,0,2]=3 27 B30R4.1310497884 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1(C)C(=O)CC Amb22731840 [0,1,0,0,0,0|2,0,0]=3 28 B30R4.1310497884 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1(O)C(=O)CO Amb22522919 [0,1,0,0,0,0|0,0,0]=1 29 B30R4.1310497884 CCC(=O)[C@@]1(C)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C Amb17619940 [0,1,0,0,0,0|2,0,0]=3 30 B30R4.1310497884 C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@H]3C(=O)C[C@@]2(C)[C@]1(O)C(=O)CO Amb19132998 [0,1,0,0,0,0|0,0,2]=3 31 B30R4.1310497884 C[C@@]12CC(O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@]43C)[C@H]1C[C@H](O)[C@@]2(O)C(=O)CO Amb22745299 [0,1,0,0,0,0|0,0,0]=1 32 B30R4.1310497884 C[C@@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@]43C)[C@H]1C[C@@H](O)[C@@]2(O)C(=O)CO Amb19134035 [0,1,0,0,0,0|0,0,0]=1 33 B30R4.1310497884 C[C@@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@]43C)[C@H]1C[C@H](O)[C@@]2(O)C(=O)CO Amb19134034 [0,1,0,0,0,0|0,0,0]=1 34 B30R4.1310497884 OCC(=O)C1(O)C(C)CC2C1(C)CC(=O)C3C2CCC4=CC(=O)C=CC34C Amb15690641 [0,1,0,0,0,0|0,0,2]=3 35 B30R4.1310497884 OCC(=O)[C@@]1(O)[C@H](O)C[C@@H]2[C@]1(C)C[C@H](O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C Amb17620517 [0,1,0,0,0,0|0,0,0]=1 36 B30R4.1310497884 [C@@H]12C[C@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@@H](O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C Amb17772263 [0,1,0,0,0,0|0,0,0]=1 37 B30R4.2427940173 C[C@@]12C=CC(=O)C=C1CC[C@H]3[C@H]2[C@H](O)C[C@]4(C)[C@]3(O)CC[C@@]4(O)C(=O)CO Amb19132706 [0,1,0,0,0,0|0,0,0]=1 38 B30R4.2468419591 CC12C=CC(=O)C=C1C(F)CC3C2C(O)CC4(C)C3CCC4(O)C(=O)CO Amb22732100 [0,1,0,0,0,0|0,0,0]=1 39 B30R4.2468419591 CC12CC(=O)C3C(CC(Cl)C4=CC(=O)C=CC43C)C1CCC2(O)C(=O)CO Amb22731978 [0,1,0,0,0,0|0,0,2]=3 40 B30R4.2468419591 CC12CC(O)C3C(C=C(Cl)C4=CC(=O)C=CC43C)C1CCC2(O)C(=O)CO Amb22732005 [0,1,0,0,0,0|0,0,2]=3 41 B30R4.2468419591 C[C@@H]1C[C@H]2[C@@H](C(=O)C[C@]3(C)[C@@H]2CC[C@@]3(O)C(=O)CO)[C@]4(C)C=CC(=O)C=C41 Amb19133202 [0,1,0,0,0,0|0,0,2]=3 42 B30R4.2468419591 C[C@@H]1C[C@H]2[C@@H]([C@H](O)C[C@]3(C)[C@@H]2CC[C@@]3(O)C(=O)CO)[C@]4(C)C=CC(=O)C=C41 Amb19133203 [0,1,0,0,0,0|0,0,0]=1 43 B30R4.2468419591 C[C@@]12C[C@@H](O)C3C(C[C@@H](O)C4=CC(=O)CC[C@]43C)C1CC[C@@]2(O)C(=O)CO Amb22800454 [0,1,0,0,0,0|0,0,2]=3 44 B30R4.2468419591 C[C@@]12C[C@@H](O)[C@@H]3[C@H](C[C@@H](O)C4=CC(=O)CC[C@]43C)[C@H]1CC[C@@]2(O)C(=O)CO Amb19132568 [0,1,0,0,0,0|0,0,2]=3 45 B30R4.2468419591 C[C@@]12C[C@@H](O)[C@@H]3[C@H](C[C@H](O)C4=CC(=O)C=C[C@]43C)[C@H]1CC[C@@]2(O)C(=O)CO Amb19132705 [0,1,0,0,0,0|0,0,0]=1 46 B30R4.2468419591 C[C@@]12C[C@@H](O)[C@@H]3[C@H](C[C@H](O)C4=CC(=O)CC[C@]43C)[C@H]1CC[C@@]2(O)C(=O)CO Amb19132567 [0,1,0,0,0,0|0,0,2]=3 47 B30R4.2468419591 C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@@H]3[C@@H]2[C@@H](O)C[C@@]4(C)[C@H]3CC[C@]4(O)C(=O)CO Amb22167256 [0,1,0,0,0,0|0,0,0]=1 48 B30R4.2468419591 OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]3[C@H]2C[C@@H](C4=CC(=O)CC[C@]34C)O Amb17615239 [0,1,0,0,0,0|0,0,2]=3 49 B30R4.2468419591 [C@@H]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(O)[C@H]3[C@H]2C[C@H](C)C4=CC(=O)C=C[C@]34C Amb17942962 [0,1,0,0,0,0|0,0,0]=1 50 B30R4.2468447894 CC12C=CC(=O)C=C1CCC3C4CCC(O)(C(=O)CO)C4(C)CC(Cl)C23Cl Amb22734304 [0,1,0,0,0,0|1,0,0]=2 51 B30R4.2468447894 CC12C=CC(=O)C=C1CCC3C4CCC(O)(C(=O)CO)C4(C)CC(O)C23F Amb22731310 [0,1,0,0,0,0|0,0,0]=1 52 B30R4.2468447894 CC12C=CC(=O)C=C1CCC3C4CC[C@@](O)(C(=O)CO)C4(C)CC(O)[C@@]23F Amb24126456 [0,1,0,0,0,0|0,0,0]=1 53 B30R4.2468447894 C[C@@]12CCC(=O)C=C1CC[C@@H]3[C@H]4CC[C@@](O)(C(=O)CO)[C@]4(C)C[C@@H](O)[C@@]23F Amb19132329 [0,1,0,0,0,0|0,0,2]=3 54 B30R5.1401553300 CC12C=CC(=O)C=C1CCC3C4CC[C@@](O)(C(=O)CO)C4(C)CC5OC235 Amb24300770 [0,0,0,1,0,0|0,0,0]=1 55 B30R5.1401553300 C[C@@]12CCC(=O)C=C1CC[C@@H]3[C@H]4CC[C@@](O)(C(=O)CO)[C@]4(C)C[C@H]5O[C@@]235 Amb19132526 [0,0,0,1,0,0|0,0,2]=3 56 B30R5.1401553300 OCC(=O)[C@@]1(O)CCC2C1(C)CC3OC34C2CCC5=CC(=O)C=CC45C Amb10591919 [0,0,0,1,0,0|0,0,0]=1 57 B27R4.804624872 CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3[C@@H](O)C[C@]21C Amb19132702 [2,0,0,0,0,0|0,0,2]=4 58 B27R4.804624872 CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3[C@H](O)C[C@]21C Amb22746425 [2,0,0,0,0,0|0,0,2]=4 59 B27R4.804624872 C[C@@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@]43C)[C@H]1CC[C@H]2C(O)=O Amb23437684 [2,0,0,0,0,0|0,0,2]=4 60 B27R4.804624872 O=C1C=C[C@]2(C(C1)CCC3C2[C@H](O)C[C@]4(C3CCC4C(=O)C)C)C Amb16203126 [2,0,0,0,0,0|0,0,2]=4 61 B27R4.804624872 O=C1CCC2(C(=C1)CCC3C2C(O)CC4(C3CCC4C(=O)C)C)C Amb2505549 [2,0,0,0,0,0|0,0,2]=4 62 B27R4.804627397 CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C Amb19854097 [2,0,0,0,0,0|0,0,2]=4 63 B27R4.914463973 CC(CO)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@H]3CC[C@]21C Amb22800574 [2,0,0,0,0,0|1,0,1]=4 64 B27R4.914463973 C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CC[C@H]2C(=O)CO Amb19131507 [2,0,0,0,0,0|0,0,2]=4 65 B29R4.4331633327 CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC12C Amb22731289 [1,1,0,0,0,0|0,0,2]=4 66 B29R4.8204278387 C[C@@]12C=CC(=O)C=C1CC[C@@H]3[C@H]4CC[C@@H](C(=O)CO)[C@@]4(C[C@@H](O)[C@@H]23)C=O Amb22801549 [1,1,0,0,0,0|0,0,1]=3 67 B29R4.8204278387 C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@]4(C[C@H](O)[C@H]23)CO Amb22735255 [1,1,0,0,0,0|0,0,2]=4 68 B29R4.8249938056 C[C@@H]1CC2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO Amb20240642 [1,1,0,0,0,0|0,0,0]=2 69 B31R4.3868520422 OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)F Amb13889651 [0,2,0,0,0,0|0,0,0]=2 70 B31R4.3868533394 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CCl Amb21920276 [0,2,0,0,0,0|1,0,0]=3 71 B31R4.3868533394 CC1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)C(O)C[C@]2(C)[C@]1(O)C(=O)CO Amb19514519 [0,2,0,0,0,0|0,0,0]=2 72 B31R4.3868533394 C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(F)C(O)C[C@@]2(C)[C@]1(O)C(=O)CO Amb22800629 [0,2,0,0,0,0|0,0,0]=2 73 B31R4.3868533394 C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(Cl)[C@H](O)C[C@@]2(C)[C@]1(O)C(=O)CO Amb19130659 [0,2,0,0,0,0|0,0,0]=2 74 B31R4.3868533394 C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(F)[C@H](O)C[C@@]2(C)[C@]1(O)C(=O)CCl Amb19131296 [0,2,0,0,0,0|1,0,0]=3 75 B31R4.3868533394 C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(F)[C@H](O)C[C@@]2(C)[C@]1(O)C(=O)CO Amb19130804 [0,2,0,0,0,0|0,0,0]=2 76 B31R4.3868533394 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl Amb22799482 [0,2,0,0,0,0|1,0,0]=3 77 B31R4.3868533394 C[C@@]12C=CC(=O)C=C1CC[C@@H]3[C@H]4C[C@H](O)[C@@](O)(C(=O)CO)[C@]4(C)C[C@@H](O)[C@@]23F Amb19134136 [0,2,0,0,0,0|0,0,0]=2 78 B31R4.3868533394 OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]3([C@H]2CCC4=CC(=O)CC[C@]34C)F Amb17612925 [0,2,0,0,0,0|0,0,2]=4 79 B31R4.3868533394 OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]3([C@H]2CCC4=CC(C=C[C@]34C)O)F Amb17615293 [0,2,0,0,0,0|0,0,2]=4 80 B31R4.3867304261 [2H]C1C([2H])[C@]2(C)[C@@H]3[C@@H](CCC2=CC1=O)[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@@H]3O Amb22354008 [0,2,0,0,0,0|0,0,2]=4 81 B29R5.2193887434 C[C@@]12CCC(=O)C=C1CCC3C4CC5OCC(=O)[C@@]5(O)[C@]4(C)CCC23 Amb24309806 [1,0,0,1,0,0|0,0,2]=4 82 B31R5.1153105468 ClCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@]1(C)[C@@H]3O[C@@H]3C4C2CCC5=CC(=O)C=C[C@]45C Amb17615208 [0,1,0,1,0,0|1,0,0]=3 83 B31R5.1153117231 CC1CC2C3CCC4=CC(=O)C=CC4(C)C35OC5CC2(C)C1(O)C(=O)CO Amb19854157 [0,1,0,1,0,0|0,0,0]=2 84 B31R5.1153117231 C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@@]4(C)[C@]35O[C@@H]5C[C@@]2(C)[C@]1(O)C(=O)CO Amb24107507 [0,1,0,1,0,0|0,0,0]=2 85 B31R5.1153117231 C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)C35OC5C[C@@]2(C)[C@]1(O)C(=O)CO Amb19130809 [0,1,0,1,0,0|0,0,0]=2 86 B31R5.1153117231 C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@]35O[C@@H]5C[C@@]2(C)[C@]1(O)C(=O)CO Amb22756693 [0,1,0,1,0,0|0,0,0]=2 87 B31R5.1153117231 C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(O)C(=O)CO Amb22168427 [0,1,0,1,0,0|0,0,0]=2