0 B30R4.1310497884 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1(C)C(=O)CC Amb22731840 [0,0,0,0,0,0|0,0,0]=0 1 B30R4.1310497884 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1(O)C(=O)CO Amb22522919 [0,0,0,0,0,0|2,0,0]=2 2 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 [0,0,0,0,0,0|0,0,0]=0 3 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 [0,0,0,0,0,0|2,0,2]=4 4 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 [0,0,0,0,0,0|3,0,0]=3 5 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 [0,0,0,0,0,0|3,0,0]=3 6 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 [0,0,0,0,0,0|3,0,0]=3 7 B30R4.1310497884 OCC(=O)C1(O)C(C)CC2C1(C)CC(=O)C3C2CCC4=CC(=O)C=CC34C Amb15690641 [0,0,0,0,0,0|2,0,2]=4 8 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 [0,0,0,0,0,0|3,0,0]=3 9 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 [0,0,0,0,0,0|3,0,0]=3 10 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 [1,0,0,0,0,0|1,0,0]=2 11 B29R4.8253908594 CC12C=CC(=O)C=C1CCC3[C@@H]2C(O)CC4(C)[C@H]3CC[C@]4(O)C(=O)CO Amb24312670 [1,0,0,0,0,0|2,0,0]=3 12 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 [1,0,0,0,0,0|2,0,0]=3 13 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 [1,0,0,0,0,0|2,0,0]=3 14 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 [1,0,0,0,0,0|2,0,0]=3 15 B29R4.8253908594 OCC(=O)[C@@]1(O)CCC2[C@]1(C)C[C@H](O)C3C2CCC4=CC(=O)C=C[C@]34C Amb10843706 [1,0,0,0,0,0|2,0,0]=3 16 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 [0,1,0,0,0,0|2,0,0]=3 17 B31R4.3868533394 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CCl Amb21920276 [0,1,0,0,0,0|2,0,0]=3 18 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 [0,1,0,0,0,0|2,0,0]=3 19 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 [0,1,0,0,0,0|2,0,0]=3 20 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 [0,1,0,0,0,0|2,0,0]=3 21 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 [0,1,0,0,0,0|2,0,0]=3 22 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 [0,1,0,0,0,0|2,0,0]=3 23 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 [0,1,0,0,0,0|2,0,0]=3 24 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 [0,1,0,0,0,0|3,0,0]=4 25 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 [0,0,0,1,0,0|2,0,0]=3 26 B31R5.1153117231 CC1CC2C3CCC4=CC(=O)C=CC4(C)C35OC5CC2(C)C1(O)C(=O)CO Amb19854157 [0,0,0,1,0,0|2,0,0]=3 27 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 [0,0,0,1,0,0|2,0,0]=3 28 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 [0,0,0,1,0,0|2,0,0]=3 29 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 [0,0,0,1,0,0|2,0,0]=3 30 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 [0,0,0,1,0,0|2,0,0]=3 31 B28R4.967132669 CC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C Amb22730498 [2,0,0,0,0,0|1,0,0]=3 32 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 [2,0,0,0,0,0|2,0,0]=4 33 B28R4.967136279 CC(=O)C1(C)C(C)CC2C3CCC4=CC(=O)CCC4(C)C3CCC12C Amb19854153 [2,0,0,0,0,0|0,0,2]=4 34 B28R4.967136279 O=C1C=CC2(C(=C1)CCC3C2CCC4(C3C[C@H]([C@]4(C)C(=O)C)C)C)C Amb1009878 [2,0,0,0,0,0|0,0,0]=2 35 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 [2,0,0,0,0,0|2,0,0]=4 36 B30R4.2228023646 CC(=O)[C@@]1(O)[C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(O)C[C@]12C Amb22800637 [1,1,0,0,0,0|1,0,0]=3 37 B30R4.2228023646 O=C1C=C[C@]2(C(=C1)CC[C@@H]3[C@]2(F)[C@@H](O)C[C@]4([C@H]3C[C@H]([C@]4(O)C(=O)O)C)C)C Amb17612353 [1,1,0,0,0,0|2,0,0]=4 38 B30R4.2467081517 CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1C(=O)CO Amb22734668 [1,1,0,0,0,0|1,0,0]=3 39 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 [1,1,0,0,0,0|2,0,0]=4 40 B30R4.2468419591 CC12C=CC(=O)C=C1C(F)CC3C2C(O)CC4(C)C3CCC4(O)C(=O)CO Amb22732100 [1,1,0,0,0,0|2,0,0]=4 41 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 [1,1,0,0,0,0|2,0,0]=4 42 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 [1,1,0,0,0,0|2,0,0]=4 43 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 [1,1,0,0,0,0|2,0,0]=4 44 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 [1,1,0,0,0,0|2,0,0]=4 45 B30R4.2468447894 CC12C=CC(=O)C=C1CCC3C4CCC(O)(C(=O)CO)C4(C)CC(O)C23F Amb22731310 [1,1,0,0,0,0|2,0,0]=4 46 B30R4.2468447894 CC12C=CC(=O)C=C1CCC3C4CC[C@@](O)(C(=O)CO)C4(C)CC(O)[C@@]23F Amb24126456 [1,1,0,0,0,0|2,0,0]=4 47 B32R4.3406213674 CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CCl Amb22733321 [0,2,0,0,0,0|2,0,0]=4 48 B32R4.3406213674 CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO Amb22730575 [0,2,0,0,0,0|2,0,0]=4 49 B32R4.3406213674 C[C@@H]1C[C@@H]2[C@H]3C[C@@H](F)C4=CC(=O)C=C[C@@]4(C)[C@]3(F)[C@H](O)C[C@@]2(C)[C@]1(O)C(=O)CO Amb19131818 [0,2,0,0,0,0|2,0,0]=4 50 B30R5.1401553300 CC12C=CC(=O)C=C1CCC3C4CC[C@@](O)(C(=O)CO)C4(C)CC5OC235 Amb24300770 [1,0,0,1,0,0|2,0,0]=4 51 B30R5.1401553300 OCC(=O)[C@@]1(O)CCC2C1(C)CC3OC34C2CCC5=CC(=O)C=CC45C Amb10591919 [1,0,0,1,0,0|2,0,0]=4