0 B30R3.2344653159 Cc1c2OC(=O)C=3CCCCC3c2ccc1OCC(=O)NC(CCC)C(O)=O Amb18478976 [0,0,0,0,0,0|1,0,0]=1 1 B30R3.2344653159 Cc1c2OC(=O)C=3CCCCC3c2ccc1OCC(=O)N[C@@H](CSC)C(O)=O Amb21915765 [0,0,0,0,0,0|0,0,0]=0 2 B30R3.2344653159 Cc1c2OC(=O)c3ccccc3-c2ccc1OCC(=O)N[C@@H](CSC)C(O)=O Amb21915933 [0,0,0,0,0,0|0,0,4]=4 3 B29R3.1991155637 CCCC(NC(=O)COc1cc2OC(=O)C=3CCCCC3c2cc1)C(O)=O Amb18478956 [1,0,0,0,0,0|1,0,0]=2 4 B29R3.1991155637 CSC[C@H](NC(=O)COc1cc2OC(=O)C=3CCCCC3c2cc1)C(O)=O Amb21915989 [1,0,0,0,0,0|0,0,0]=1 5 B31R3.2915504153 Cc1c2OC(=O)C=3CCCCC3c2ccc1OCC(=O)NC(CCCC)C(O)=O Amb18478979 [0,1,0,0,0,0|1,0,0]=2 6 B31R3.2915504153 Cc1c2OC(=O)C=3CCCCC3c2ccc1OCC(=O)N[C@@H](CCSC)C(O)=O Amb18478980 [0,1,0,0,0,0|0,0,0]=1 7 B31R3.4017119574 Cc1c2OC(=O)C=3CCCCC3c2ccc1OC(C)C(=O)NC(CCC)C(O)=O Amb18478984 [0,1,0,0,0,0|1,0,0]=2 8 B31R3.4459097426 Cc1c2OC(=O)C=3CCCCC3c2ccc1OCC(=O)N[C@@H]([C@@H](C)CC)C(O)=O Amb21924438 [0,1,0,0,0,0|1,0,0]=2 9 B31R3.4459097426 Cc1c2OC(=O)C=3CCCCC3c2ccc1OCC(=O)N[C@@H]([C@H](C)CC)C(O)=O Amb18478978 [0,1,0,0,0,0|1,0,0]=2 10 B31R3.9962247433 Cc1c2OC(=O)C=3CCCCC3c2ccc1OCC(=O)N[C@@H](CC(C)C)C(O)=O Amb18478977 [0,1,0,0,0,0|1,0,0]=2 11 B29R2.3078086076 Cc1c2OC(=O)C=C(CCCC)c2ccc1OCC(=O)NC(CCC)C(O)=O Amb17975810 [0,0,1,0,0,0|1,0,0]=2 12 B29R2.3078086076 Cc1c2OC(=O)C=C(CCCC)c2ccc1OCC(=O)N[C@@H](CSC)C(O)=O Amb21916624 [0,0,1,0,0,0|0,0,0]=1 13 B29R3.2393661500 Cc1c2OC(=O)C=3CCCC3c2ccc1OCC(=O)NC(CCC)C(O)=O Amb17975842 [0,0,0,0,1,0|1,0,0]=2 14 B29R3.2393661500 Cc1c2OC(=O)C=3CCCC3c2ccc1OCC(=O)N[C@@H](CSC)C(O)=O Amb21916891 [0,0,0,0,1,0|0,0,0]=1 15 B28R2.2269523161 Cc1c2OC(=O)C=C(CCC)c2ccc1OCC(=O)NC(CCC)C(O)=O Amb17975796 [1,0,1,0,0,0|1,0,0]=3 16 B28R2.2269523161 Cc1c2OC(=O)C=C(CCC)c2ccc1OCC(=O)N[C@@H](CSC)C(O)=O Amb21916665 [1,0,1,0,0,0|0,0,0]=2 17 B28R2.5138148688 CCCCC1=CC(=O)Oc2cc(ccc12)OCC(=O)NC(CCC)C(O)=O Amb18478739 [1,0,1,0,0,0|1,0,0]=3 18 B28R2.5138148688 CCCCC1=CC(=O)Oc2cc(ccc21)OCC(=O)N[C@@H](CSC)C(O)=O Amb21916408 [1,0,1,0,0,0|0,0,0]=2 19 B28R3.3795887962 Cc1c2OC(=O)C=3CCCCC3c2ccc1OCC(=O)N[C@@H](C)C(O)=O Amb17975853 [2,0,0,0,0,0|0,0,0]=2 20 B30R2.9245972867 Cc1c2OC(=O)C=C(CCCC)c2ccc1OCC(=O)NC(CCCC)C(O)=O Amb18478760 [0,1,1,0,0,0|1,0,0]=3 21 B30R2.9245972867 Cc1c2OC(=O)C=C(CCCC)c2ccc1OCC(=O)N[C@@H](CCSC)C(O)=O Amb18478761 [0,1,1,0,0,0|0,0,0]=2 22 B30R2.9245972874 Cc1c2OC(=O)C=C(CCCC)c2ccc1OCC(=O)N[C@@H]([C@@H](C)CC)C(O)=O Amb21924301 [0,1,1,0,0,0|1,0,0]=3 23 B30R2.9245972874 Cc1c2OC(=O)C=C(CCCC)c2ccc1OCC(=O)N[C@@H]([C@H](C)CC)C(O)=O Amb18478759 [0,1,1,0,0,0|1,0,0]=3 24 B30R2.12923063846 Cc1c2OC(=O)C=C(CCCC)c2ccc1OC(C)C(=O)NC(CCC)C(O)=O Amb18478770 [0,1,1,0,0,0|1,0,0]=3 25 B30R2.12923064118 Cc1c2OC(=O)C=C(CCCC)c2ccc1OCC(=O)N[C@@H](CC(C)C)C(O)=O Amb21915487 [0,1,1,0,0,0|1,0,0]=3 26 B30R2.12923064118 Cc1c2OC(=O)C=C(CCCC)c2ccc1OCC(=O)N[C@@H](CC(O)=O)C(O)=O Amb18478765 [0,1,1,0,0,0|2,0,0]=4 27 B30R3.16392981080 Cc1c2OC(=O)C=3CCCCC3c2ccc1OCC(=O)N[C@@H](C(C)C)C(O)=O Amb18478975 [1,1,0,0,0,0|0,0,0]=2 28 B30R3.346491606 CC(C)C[C@@H](NC(=O)COc1ccc2c(c1)OC(=O)C=3CCCCC32)C(O)=O Amb18478957 [1,1,0,0,0,0|1,0,0]=3 29 B30R3.346491606 CC(C)C[C@H](NC(=O)COc1ccc2c(c1)OC(=O)C=3CCCCC32)C(O)=O Amb21913751 [1,1,0,0,0,0|1,0,0]=3 30 B30R3.346491606 OC(=O)C[C@@H](NC(=O)COc1cc2OC(=O)C=3CCCCC3c2cc1)C(O)=O Amb17991900 [1,1,0,0,0,0|2,0,0]=4 31 B30R3.3641553979 CCCCC(NC(=O)COc1cc2OC(=O)C=3CCCCC3c2cc1)C(O)=O Amb17975847 [1,1,0,0,0,0|1,0,0]=3 32 B30R3.3641553979 CSCC[C@@H](NC(=O)COc1cc2OC(=O)C=3CCCCC3c2cc1)C(O)=O Amb18478958 [1,1,0,0,0,0|0,0,0]=2 33 B30R3.3641553979 CSCC[C@H](NC(=O)COc1cc2OC(=O)C=3CCCCC3c2cc1)C(O)=O Amb21913727 [1,1,0,0,0,0|0,0,0]=2 34 B30R3.5366403939 CC(Oc1ccc2c(c1)OC(=O)C=3CCCCC32)C(=O)NC(CCC)C(O)=O Amb17975849 [1,1,0,0,0,0|1,0,0]=3 35 B30R3.6070703056 C[C@@H](CC)[C@H](NC(=O)COc1cc2OC(=O)C=3CCCCC3c2cc1)C(O)=O Amb21913588 [1,1,0,0,0,0|1,0,0]=3 36 B30R3.3641550066 Cc1c2OC(=O)C=3CCCC3c2ccc1OCC(=O)NC(CCCC)C(O)=O Amb18478919 [0,1,0,0,1,0|1,0,0]=3 37 B30R3.3641550066 Cc1c2OC(=O)C=3CCCC3c2ccc1OCC(=O)N[C@@H](CCSC)C(O)=O Amb18478920 [0,1,0,0,1,0|0,0,0]=2 38 B30R3.6070700680 Cc1c2OC(=O)C=3CCCC3c2ccc1OCC(=O)N[C@@H]([C@@H](C)CC)C(O)=O Amb21914130 [0,1,0,0,1,0|1,0,0]=3 39 B30R3.6070700680 Cc1c2OC(=O)C=3CCCC3c2ccc1OCC(=O)N[C@@H]([C@H](C)CC)C(O)=O Amb18478918 [0,1,0,0,1,0|1,0,0]=3 40 B30R3.10370708453 Cc1c2OC(=O)C=3CCCC3c2ccc1OCC(=O)N[C@@H](CC(C)C)C(O)=O Amb17975843 [0,1,0,0,1,0|1,0,0]=3 41 B32R3.2988506173 Cc1c2OC(=O)C=3CCCCC3c2ccc1OC(C)C(=O)NC(CCCC)C(O)=O Amb18478987 [0,2,0,0,0,0|1,0,0]=3 42 B32R3.2988506173 Cc1c2OC(=O)C=3CCCCC3c2ccc1OC(C)C(=O)N[C@@H](CCSC)C(O)=O Amb18478988 [0,2,0,0,0,0|0,0,0]=2 43 B32R3.4686625366 Cc1c2OC(=O)C=3CCCCC3c2ccc1OC(C)C(=O)N[C@@H]([C@@H](C)CC)C(O)=O Amb21924495 [0,2,0,0,0,0|1,0,0]=3 44 B32R3.4686625366 Cc1c2OC(=O)C=3CCCCC3c2ccc1OC(C)C(=O)N[C@@H]([C@H](C)CC)C(O)=O Amb18478986 [0,2,0,0,0,0|1,0,0]=3 45 B32R3.8929218527 Cc1c2OC(=O)C=3CCCCC3c2ccc1OC(C)C(=O)N[C@@H](CC(C)C)C(O)=O Amb18478985 [0,2,0,0,0,0|1,0,0]=3 46 B30R4.40503361 OC(=O)C1CCCN1C(=O)COc2cc3OC(=O)C=4CCCCC4c3cc2 Amb19670715 [1,0,0,1,0,0|1,0,0]=3 47 B30R4.40503361 OC(=O)[C@@H]1CCCN1C(=O)COc2cc3OC(=O)C=4CCCCC4c3cc2 Amb18478962 [1,0,0,1,0,0|1,0,0]=3 48 B30R4.530003207 Cc1c2OC(=O)C=3CCCC3c2ccc1OCC(=O)N4CCC[C@@H]4C(O)=O Amb18478923 [0,0,0,1,1,0|1,0,0]=3 49 B32R4.1990347641 Cc1c2OC(=O)C=3CCCCC3c2ccc1OC(C)C(=O)N4CCC[C@@H]4C(O)=O Amb18478990 [0,1,0,1,0,0|1,0,0]=3 50 B28R3.1561049547 CCCC(NC(=O)COc1cc2OC(=O)C=3CCCC3c2cc1)C(O)=O Amb18478900 [1,0,0,0,1,0|1,0,0]=3