0 B31R4.3868533394 CC12C=CC(=O)C=C1CCC3C4CC(O)C(O)(C(=O)CO)C4(C)CC(O)C32F Amb2704867 [0,0,0,0,0,0|2,1,0]=3 1 B31R4.3868533394 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CCl Amb534050 [0,0,0,0,0,0|0,1,0]=1 2 B31R4.3868533394 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO Amb9809252 [0,0,0,0,0,0|1,1,0]=2 3 B31R4.3868533394 C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO Amb4157203 [0,0,0,0,0,0|1,1,0]=2 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)CO Amb2719619 [0,0,0,0,0,0|1,1,0]=2 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 Amb34915504 [0,0,0,0,0,0|1,1,0]=2 6 B31R4.3868533394 C[C@@]12C=CC(=O)C=C1CC[C@@H]3C4C[C@H](O)[C@@](O)(C(=O)CO)[C@]4(C)CC(O)[C@]32F Amb28524827 [0,0,0,0,0,0|2,1,0]=3 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@]32F Amb19134136 [0,0,0,0,0,0|2,1,0]=3 8 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 Amb8628204 [0,0,0,0,0,0|1,1,0]=2 9 B30R4.1310497884 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3C(=O)CC2(C)C1(O)C(=O)CO Amb15690641 [1,0,0,0,0,0|1,0,2]=4 10 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|1,0,2]=4 11 B30R4.1310497884 C[C@@]12C=CC(=O)C=C1CC[C@H]3[C@H]2C(O)C[C@]4(C)[C@@H]3C[C@H](O)[C@@]4(O)C(=O)CO Amb22745299 [1,0,0,0,0,0|2,0,0]=3 12 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 Amb33872298 [1,0,0,0,0,0|2,0,0]=3 13 B30R4.2467147937 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@H]1C(=O)CO Amb8628636 [1,0,0,0,0,0|1,1,0]=3 14 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|1,1,0]=3 15 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 Amb8390858 [0,1,0,0,0,0|1,1,0]=3 16 B32R4.3406213674 C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)C3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO Amb33871676 [0,1,0,0,0,0|1,1,0]=3 17 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 Amb8396645 [0,1,0,0,0,0|1,1,0]=3 18 B32R4.3406213674 C[C@H]1C[C@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)C3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO Amb34915552 [0,1,0,0,0,0|1,1,0]=3 19 B29R4.8253908594 CC12C=CC(=O)C=C1CCC3C2C(O)CC4(C)C3CCC4(O)C(=O)CO Amb4553083 [2,0,0,0,0,0|1,0,0]=3 20 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|1,0,0]=3 21 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 Amb33872457 [2,0,0,0,0,0|1,0,0]=3 22 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)CO Amb533381 [2,0,0,0,0,0|1,0,0]=3 23 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)CO Amb34915297 [2,0,0,0,0,0|1,0,0]=3 24 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|1,1,0]=4 25 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|1,1,0]=4 26 B31R5.1153117231 CC1CC2C3CCC4=CC(=O)C=CC4(C)C35OC5CC2(C)C1(O)C(=O)CO Amb19854157 [1,0,0,1,0,0|1,0,0]=3 27 B31R5.1153117231 C[C@@H]1C[C@H]2C3CCC4=CC(=O)C=C[C@]4(C)[C@]35O[C@@H]5C[C@]2(C)[C@@]1(O)C(=O)CO Amb533370 [1,0,0,1,0,0|1,0,0]=3 28 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|1,0,0]=3