0 B31R4.3868533394 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CCl Amb21920276 [0,0,0,0,0,0|1,0,0]=1 1 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 [0,0,0,0,0,0|0,0,0]=0 2 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 [0,0,0,0,0,0|0,0,0]=0 3 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 [0,0,0,0,0,0|0,1,0]=1 4 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 [0,0,0,0,0,0|1,0,0]=1 5 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 [0,0,0,0,0,0|0,0,0]=0 6 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 [0,0,0,0,0,0|1,1,0]=2 7 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 [0,0,0,0,0,0|1,0,0]=1 8 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 [0,0,0,0,0,0|0,0,2]=2 9 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 [0,0,0,0,0,0|0,0,2]=2 10 B30R4.1310497884 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1(C)C(=O)CC Amb22731840 [1,0,0,0,0,0|2,0,0]=3 11 B30R4.1310497884 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1(O)C(=O)CO Amb22522919 [1,0,0,0,0,0|0,0,0]=1 12 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 [1,0,0,0,0,0|2,0,0]=3 13 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 [1,0,0,0,0,0|0,0,2]=3 14 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 [1,0,0,0,0,0|1,0,0]=2 15 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 [1,0,0,0,0,0|1,0,0]=2 16 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 [1,0,0,0,0,0|1,0,0]=2 17 B30R4.1310497884 OCC(=O)C1(O)C(C)CC2C1(C)CC(=O)C3C2CCC4=CC(=O)C=CC34C Amb15690641 [1,0,0,0,0,0|0,0,2]=3 18 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 [1,0,0,0,0,0|1,0,0]=2 19 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 [1,0,0,0,0,0|1,0,0]=2 20 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 [1,0,0,0,0,0|0,0,0]=1 21 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 [1,0,0,0,0,0|0,0,0]=1 22 B30R4.2468447894 CC12C=CC(=O)C=C1CCC3C4CCC(O)(C(=O)CO)C4(C)CC(Cl)C23Cl Amb22734304 [1,0,0,0,0,0|1,1,0]=3 23 B30R4.2468447894 CC12C=CC(=O)C=C1CCC3C4CCC(O)(C(=O)CO)C4(C)CC(O)C23F Amb22731310 [1,0,0,0,0,0|0,0,0]=1 24 B30R4.2468447894 CC12C=CC(=O)C=C1CCC3C4CC[C@@](O)(C(=O)CO)C4(C)CC(O)[C@@]23F Amb24126456 [1,0,0,0,0,0|0,0,0]=1 25 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 [1,0,0,0,0,0|0,0,2]=3 26 B32R4.3406213674 CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CCl Amb22733321 [0,1,0,0,0,0|1,0,0]=2 27 B32R4.3406213674 CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO Amb22730575 [0,1,0,0,0,0|0,0,0]=1 28 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 [0,1,0,0,0,0|0,0,0]=1 29 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 [2,0,0,0,0,0|0,0,0]=2 30 B29R4.8253908594 CC12C=CC(=O)C=C1CCC3[C@@H]2C(O)CC4(C)[C@H]3CC[C@]4(O)C(=O)CO Amb24312670 [2,0,0,0,0,0|0,0,0]=2 31 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 [2,0,0,0,0,0|0,0,2]=4 32 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 [2,0,0,0,0,0|0,0,0]=2 33 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 [2,0,0,0,0,0|0,0,2]=4 34 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 [2,0,0,0,0,0|0,0,2]=4 35 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 [2,0,0,0,0,0|1,0,0]=3 36 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 [2,0,0,0,0,0|0,0,2]=4 37 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 [2,0,0,0,0,0|0,0,2]=4 38 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 [2,0,0,0,0,0|1,0,0]=3 39 B29R4.8253908594 OCC(=O)[C@@]1(O)CCC2[C@]1(C)C[C@H](O)C3C2CCC4=CC(=O)C=C[C@]34C Amb10843706 [2,0,0,0,0,0|0,0,0]=2 40 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 [2,0,0,0,0,0|0,0,2]=4 41 B29R4.4331633327 CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC12C Amb22731289 [2,0,0,0,0,0|0,0,2]=4 42 B29R4.4331633377 C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(O)C[C@]2(C)[C@H]1C(O)=O Amb23566749 [2,0,0,0,0,0|0,0,0]=2 43 B29R4.4331633377 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@@H]4C(=O)O)C)C)C Amb17610541 [2,0,0,0,0,0|0,0,0]=2 44 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 [1,1,0,0,0,0|0,0,0]=2 45 B31R4.2569194019 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)=S Amb22746196 [1,1,0,0,0,0|0,1,0]=3 46 B31R4.2569194019 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)=O Amb22746195 [1,1,0,0,0,0|0,0,0]=2 47 B31R4.2569194019 O=C1C=C[C@]2(C(=C1)C(F)C[C@@H]3C2(F)[C@@H](O)C[C@]4(C3CC(C4(O)C(=O)O)C)C)C Amb17612833 [1,1,0,0,0,0|0,0,0]=2 48 B31R4.2569194019 O=C1C=C[C@]2(C(=C1)[C@@H](F)CC3[C@]2(F)[C@@H](O)C[C@]4(C3C[C@H]([C@]4(O)C(=O)S)C)C)C Amb13883112 [1,1,0,0,0,0|0,1,0]=3 49 B31R4.2569194019 O=C1C=C[C@]2(C(=C1)[C@@H](F)C[C@@H]3[C@]2(F)[C@@H](O)C[C@]4([C@H]3C[C@H]([C@]4(O)C(=O)S)C)C)C Amb17612832 [1,1,0,0,0,0|0,1,0]=3 50 B31R4.4479946573 CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(Cl)C(O)CC2(C)C1C(=O)CO Amb22731811 [1,1,0,0,0,0|0,1,0]=3 51 B31R4.4479946573 CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1C(=O)CO Amb22730932 [1,1,0,0,0,0|0,0,0]=2 52 B33R4.3468863011 CC1CC2C3CC(F)C4=CC(=O)C(Cl)=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO Amb22731874 [0,2,0,0,0,0|0,0,0]=2 53 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 [1,0,0,1,0,0|1,0,0]=3 54 B31R5.1153117231 CC1CC2C3CCC4=CC(=O)C=CC4(C)C35OC5CC2(C)C1(O)C(=O)CO Amb19854157 [1,0,0,1,0,0|0,0,0]=2 55 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 [1,0,0,1,0,0|0,0,0]=2 56 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 [1,0,0,1,0,0|0,0,0]=2 57 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 [1,0,0,1,0,0|0,0,0]=2 58 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 [1,0,0,1,0,0|0,0,0]=2