0 B25R2.192191817 CC(CC)C(NC(=O)CN1C(=O)c2ccccc2NC1=O)C(O)=O Amb24897567 [0,0,0,0,0,0|0,0,0]=0 1 B25R2.192191817 CC(CC)[C@H](NC(=O)CN1C(=O)c2ccccc2N=C1O)C(O)=O Amb22559930 [0,0,0,0,0,0|0,0,2]=2 2 B25R2.192191817 CC(CC)[C@H](NC(=O)CN1C(=O)c2ccccc2NC1=O)C(O)=O Amb21917318 [0,0,0,0,0,0|0,0,0]=0 3 B25R2.192191817 C[C@@H](CC)[C@H](NC(=O)CN1C(=O)c2ccccc2NC1=O)C(O)=O Amb25470468 [0,0,0,0,0,0|0,0,0]=0 4 B24R2.13502740 CCCC(NC(=O)CN1C(=O)c2ccccc2NC1=O)C(O)=O Amb25527983 [1,0,0,0,0,0|0,0,0]=1 5 B24R2.83192639 CC(C)[C@@H](NC(=O)CN1C(=O)Nc2ccccc2C1=O)C(O)=O Amb21919174 [1,0,0,0,0,0|0,0,0]=1 6 B24R2.83192639 CC(C)[C@@H](NC(=O)CN1C(O)=Nc2ccccc2C1=O)C(O)=O Amb22568547 [1,0,0,0,0,0|0,0,2]=3 7 B24R2.83192639 CC(C)[C@H](NC(=O)CN1C(=O)Nc2ccccc2C1=O)C(O)=O Amb21917441 [1,0,0,0,0,0|0,0,0]=1 8 B24R2.83192639 CC(C)[C@H](NC(=O)CN1C(O)=Nc2ccccc2C1=O)C(O)=O Amb22567627 [1,0,0,0,0,0|0,0,2]=3 9 B24R2.125476083 CC(CC)C(NC(=O)CN1C=Nc2ccccc2C1=O)C(O)=O Amb22568262 [1,0,0,0,0,0|0,0,1]=2 10 B24R2.125476083 CC(CC)C(NC(=O)CN1N=Cc2ccccc2C1=O)C(O)=O Amb19922955 [1,0,0,0,0,0|2,0,0]=3 11 B24R2.125476083 CC(CC)[C@H](NC(=O)CN1C=Nc2ccccc2C1=O)C(O)=O Amb21917609 [1,0,0,0,0,0|0,0,1]=2 12 B24R2.125476083 CC(CC)[C@H](NC(=O)CN1N=Nc2ccccc2C1=O)C(O)=O Amb21886612 [1,0,0,0,0,0|1,0,1]=3 13 B24R2.125476083 C[C@@H](CC)[C@@H](NC(=O)CN1C=Nc2ccccc2C1=O)C(O)=O Amb18479187 [1,0,0,0,0,0|0,0,1]=2 14 B24R2.125476083 C[C@@H](CC)[C@@H](NC(=O)CN1N=Cc2ccccc2C1=O)C(O)=O Amb22901745 [1,0,0,0,0,0|2,0,0]=3 15 B24R2.125476083 C[C@@H](CC)[C@@H](NC(=O)CN1N=Nc2ccccc2C1=O)C(O)=O Amb18479095 [1,0,0,0,0,0|1,0,1]=3 16 B24R2.125476083 C[C@@H](CC)[C@H](NC(=O)CN1N=Cc2ccccc2C1=O)C(O)=O Amb25470930 [1,0,0,0,0,0|2,0,0]=3 17 B26R2.352675081 CCC(C)C(NC(=O)C(C)N1C(=O)c2ccccc2N=C1O)C(O)=O Amb22570849 [0,1,0,0,0,0|0,0,2]=3 18 B26R2.352675081 CCC(C)[C@H](NC(=O)[C@H](C)N1C(=O)c2ccccc2NC1=O)C(O)=O Amb21917673 [0,1,0,0,0,0|0,0,0]=1 19 B26R2.352675081 CC[C@@H](C)[C@H](NC(=O)[C@H](C)N1C(=O)c2ccccc2NC1=O)C(O)=O Amb18482508 [0,1,0,0,0,0|0,0,0]=1 20 B26R2.1099421767 CC=1c2ccc(O)cc2OC(=O)C1CC(=O)N[C@@H]([C@H](C)CC)C(O)=O Amb21915385 [0,1,0,0,0,0|3,0,0]=4 21 B24R2.125609787 CCC(C(C(=O)O)NC(=O)CN1C(=O)c2c(C1=O)cccc2)C Amb17154350 [0,0,0,0,1,0|0,0,0]=1 22 B24R2.125609787 C[C@@H](CC)[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)C(O)=O Amb25470380 [0,0,0,0,1,0|0,0,0]=1 23 B26R2.257365928 CC(CC)[C@H](NC(=O)CCN1C(=O)Nc2ccccc2C1=O)C(O)=O Amb21917652 [0,0,0,0,0,1|0,0,0]=1 24 B26R2.257365928 CC(CC)[C@H](NC(=O)CCN1C(=O)c2ccccc2N=C1O)C(O)=O Amb22568562 [0,0,0,0,0,1|0,0,2]=3 25 B23R1.1787936 CCC(C(C(=O)O)NC(=O)CCC(=O)Nc1ccccc1C)C Amb17154874 [1,0,1,0,0,0|1,0,1]=4 26 B23R1.1787936 CCC(C(C(=O)O)NC(=O)CCC(=O)Nc1ccccc1F)C Amb17155788 [1,0,1,0,0,0|2,0,0]=4 27 B23R1.1787936 CCC(C(C(=O)O)NC(=O)CCC(=O)Nc1ccccc1O)C Amb17155447 [1,0,1,0,0,0|1,0,1]=4 28 B23R2.7948479 CC(C)C(NC(=O)CC1Oc2ccccc2NC1=O)C(O)=O Amb25573691 [2,0,0,0,0,0|2,0,0]=4 29 B23R2.7948479 CC(C)[C@@H](NC(=O)CC1Oc2ccccc2NC1=O)C(O)=O Amb24910727 [2,0,0,0,0,0|2,0,0]=4 30 B23R2.177911289 CC(C)C(NC(=O)CN1N=Cc2ccccc2C1=O)C(O)=O Amb19671705 [2,0,0,0,0,0|2,0,0]=4 31 B23R2.177911289 CC(C)[C@@H](NC(=O)CN1C=Nc2ccccc2C1=O)C(N)=O Amb22813430 [2,0,0,0,0,0|1,0,1]=4 32 B23R2.177911289 CC(C)[C@@H](NC(=O)CN1C=Nc2ccccc2C1=O)C(O)=O Amb17976781 [2,0,0,0,0,0|0,0,1]=3 33 B23R2.177911289 CC(C)[C@@H](NC(=O)CN1N=Cc2ccccc2C1=O)C(O)=O Amb22901744 [2,0,0,0,0,0|2,0,0]=4 34 B23R2.177911289 CC(C)[C@@H](NC(=O)CN1N=Nc2ccccc2C1=O)C(O)=O Amb18478949 [2,0,0,0,0,0|1,0,1]=4 35 B23R2.177911289 CC(C)[C@H](NC(=O)CN1C=Nc2ccccc2C1=O)C(O)=O Amb21917608 [2,0,0,0,0,0|0,0,1]=3 36 B23R2.177911289 CC(C)[C@H](NC(=O)CN1N=Nc2ccccc2C1=O)C(O)=O Amb21887002 [2,0,0,0,0,0|1,0,1]=4 37 B23R2.177911289 O=C(Cn1ncc2c(c1=O)cccc2)N[C@H](C(=O)O)C(C)C Amb16194899 [2,0,0,0,0,0|2,0,0]=4 38 B25R2.8827740 CCCCC(NC(=O)CN1C(=O)c2ccccc2NC1=O)C(O)=O Amb24870980 [1,1,0,0,0,0|0,0,0]=2 39 B25R2.8827740 COCCC(NC(=O)CN1C(=O)Nc2ccccc2C1=O)C(O)=O Amb24874820 [1,1,0,0,0,0|0,0,0]=2 40 B25R2.8827740 CSCC[C@@H](NC(=O)CN1C(=O)Nc2ccccc2C1=O)C(O)=O Amb21919436 [1,1,0,0,0,0|0,0,0]=2 41 B25R2.8827740 CSCC[C@@H](NC(=O)CN1C(=O)c2ccccc2N=C1O)C(O)=O Amb22562607 [1,1,0,0,0,0|0,0,2]=4 42 B25R2.8827740 CSCC[C@H](NC(=O)CN1C(=O)Nc2ccccc2C1=O)C(O)=O Amb21917155 [1,1,0,0,0,0|0,0,0]=2 43 B25R2.8827740 CSCC[C@H](NC(=O)CN1C(=O)c2ccccc2N=C1O)C(O)=O Amb22568124 [1,1,0,0,0,0|0,0,2]=4 44 B25R2.8827740 C\C=C\CC(NC(=O)CN1C(=O)Nc2ccccc2C1=O)C(O)=O Amb24953986 [1,1,0,0,0,0|0,0,1]=3 45 B25R2.125578676 CC(C)C[C@@H](NC(=O)CN1C(=O)c2ccccc2NC1=O)C(O)=O Amb21919234 [1,1,0,0,0,0|0,0,0]=2 46 B25R2.125578676 CC(C)C[C@@H](NC(=O)CN1C(O)=Nc2ccccc2C1=O)C(O)=O Amb22563339 [1,1,0,0,0,0|0,0,2]=4 47 B25R2.125578676 CC(C)C[C@H](NC(=O)CN1C(=O)c2ccccc2NC1=O)C(O)=O Amb21917546 [1,1,0,0,0,0|0,0,0]=2 48 B25R2.125578676 CC(C)C[C@H](NC(=O)CN1C(O)=Nc2ccccc2C1=O)C(O)=O Amb22561893 [1,1,0,0,0,0|0,0,2]=4 49 B25R2.125578494 CC(C)C(NC(=O)C(C)N1C(=O)c2ccccc2N=C1O)C(O)=O Amb22571341 [1,1,0,0,0,0|0,0,2]=4 50 B25R2.125578494 CC(C)[C@H](NC(=O)[C@H](C)N1C(=O)c2ccccc2NC1=O)C(O)=O Amb21917179 [1,1,0,0,0,0|0,0,0]=2 51 B25R2.192191606 C[C@@H](CC)[C@H](NC(=O)CN1C=Nc2ccc(Br)cc2C1=O)C(O)=O Amb25470460 [1,1,0,0,0,0|0,0,1]=3 52 B25R2.265033885 CCC(C)[C@H](NC(=O)[C@H](C)N1N=Nc2ccccc2C1=O)C(O)=O Amb21886204 [1,1,0,0,0,0|1,0,1]=4 53 B25R2.265033885 CC[C@@H](C)[C@H](NC(=O)[C@H](C)N1N=Nc2ccccc2C1=O)C(O)=O Amb18479228 [1,1,0,0,0,0|1,0,1]=4 54 B25R2.838806691 C[C@@H](CC)[C@H](NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)C(O)=O Amb25470715 [0,1,0,0,1,0|0,0,0]=2 55 B25R3.27897270 OC(=O)[C@@H]1CCCN1C(=O)CN2C(=O)Nc3ccccc3C2=O Amb21919507 [1,0,0,1,0,0|0,0,0]=2 56 B25R3.27897270 OC(=O)[C@@H]1CCCN1C(=O)CN2C(=O)c3ccccc3N=C2O Amb22568983 [1,0,0,1,0,0|0,0,2]=4 57 B25R3.27897270 OC(=O)[C@H]1CCCN1C(=O)CN2C(=O)Nc3ccccc3C2=O Amb21919249 [1,0,0,1,0,0|0,0,0]=2 58 B25R3.27897270 OC(=O)[C@H]1CCCN1C(=O)CN2C(=O)c3ccccc3N=C2O Amb22563390 [1,0,0,1,0,0|0,0,2]=4 59 B27R3.21371473 CC1CC(C(O)=O)N(CC1)C(=O)CN2C(=O)Nc3ccccc3C2=O Amb25631542 [0,0,0,1,0,1|0,0,0]=2 60 B23R2.2652024 C[C@@H](CC)[C@H](NCCN1C(=O)c2ccccc2C1=O)C(O)=O Amb25652382 [1,0,0,0,1,0|0,0,1]=3 61 B23R2.9797076 CCCC(NC(=O)CN1C(=O)c2ccccc2C1=O)C(O)=O Amb25528372 [1,0,0,0,1,0|0,0,0]=2 62 B23R2.11973040 CC(CC)C(NC(=O)CN1N=C2C=CC=CN2C1=O)C(O)=O Amb25445524 [1,0,0,0,1,0|2,0,0]=4 63 B23R2.78930599 CC[C@H]([C@@H](C(=O)O)NC(=O)Cn1c(C)cc2c1cccc2)C Amb13777936 [1,0,0,0,1,0|2,0,0]=4 64 B23R2.78930599 Cc1[nH]c2ccccc2c1CC(=O)NC(C(C)CC)C(O)=O Amb25445526 [1,0,0,0,1,0|2,0,0]=4 65 B23R2.78930599 Cc1cc2ccccc2[n]1CC(=O)NC(C(C)CC)C(O)=O Amb25445533 [1,0,0,0,1,0|2,0,0]=4 66 B23R2.40269968 CC(C(C(=O)O)NC(=O)CN1C(=O)c2c(C1=O)cccc2)C Amb17151511 [1,0,0,0,1,0|0,0,0]=2 67 B23R2.40269968 CC(C)C(NC(=O)CN1C(=O)c2ccccc2C1=C)C(O)=O Amb24848625 [1,0,0,0,1,0|1,0,0]=3 68 B23R2.40269968 CC(C)[C@@H](NC(=O)CN1C(=O)c2ccccc2C1=C)C(O)=O Amb24972078 [1,0,0,0,1,0|1,0,0]=3 69 B23R2.40269968 CC(C)[C@@H](NC(=O)CN1C(=O)c2ccccc2C1=O)C(O)=O Amb24910099 [1,0,0,0,1,0|0,0,0]=2 70 B23R2.40269968 CC(C)[C@H](NC(=O)CN1C(=O)c2ccccc2C1=C)C(O)=O Amb24971640 [1,0,0,0,1,0|1,0,0]=3 71 B23R2.77991574 CC(CC)C(NC(=O)CN1C=Nc2[s]ccc2C1=O)C(O)=O Amb25445491 [1,0,0,0,1,0|1,0,1]=4 72 B25R2.23602021 C[C@@H](CC)[C@H](NC(=O)CCC1Cc2ccccc2NC1=O)C(O)=O Amb25470705 [1,0,0,0,0,1|1,0,1]=4 73 B25R2.126435560 CC(C)[C@H](NC(=O)CCN1C(=O)Nc2ccccc2C1=O)C(O)=O Amb21917499 [1,0,0,0,0,1|0,0,0]=2 74 B25R2.126435560 CC(C)[C@H](NC(=O)CCN1C(O)=Nc2ccccc2C1=O)C(O)=O Amb22562246 [1,0,0,0,0,1|0,0,2]=4 75 B25R2.23602150 CC(CC)[C@H](NC(=O)CCN1N=Nc2ccccc2C1=O)C(O)=O Amb19899941 [1,0,0,0,0,1|1,0,1]=4 76 B25R2.23602150 C[C@@H](CC)[C@H](NC(=O)CCN1N=Nc2ccccc2C1=O)C(O)=O Amb25470769 [1,0,0,0,0,1|1,0,1]=4 77 B27R2.42178405 CC(CC)[C@H](NC(=O)CCCN1C(=O)Nc2ccccc2C1=O)C(O)=O Amb21917657 [0,0,0,0,0,2|0,0,0]=2 78 B27R2.42178405 CC(CC)[C@H](NC(=O)CCCN1C(=O)c2ccccc2N=C1O)C(O)=O Amb22562130 [0,0,0,0,0,2|0,0,2]=4 79 B27R2.42178405 C[C@@H](CC)[C@@H](NC(=O)CCCN1C(=O)Nc2ccccc2C1=O)C(O)=O Amb18479243 [0,0,0,0,0,2|0,0,0]=2