0 B27R3.368466399 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)C(=O)O)C CHEBI:2676 [0,0,0,0,0,0|0,0,0]=0 1 B27R3.368466399 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)C(=O)O)C CHEBI:51254 [0,0,0,0,0,0|0,0,0]=0 2 B27R3.368466399 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)C(=O)[O-])C CHEBI:51255 [0,0,0,0,0,0|0,0,1]=1 3 B27R3.368466399 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)C(=O)[O-])C CHEBI:51256 [0,0,0,0,0,0|0,0,1]=1 4 B26R3.529849969 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CCC=CC3)N)C(=O)O)C CHEBI:58974 [1,0,0,0,0,0|0,0,2]=3 5 B26R3.529849969 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)O)C CHEBI:28971 [1,0,0,0,0,0|0,0,0]=1 6 B26R3.529849969 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)O)C CHEBI:31209 [1,0,0,0,0,0|0,0,0]=1 7 B26R3.529849969 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)[O-])C CHEBI:34535 [1,0,0,0,0,0|0,0,1]=2 8 B26R3.529849969 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)[O-])C CHEBI:50658 [1,0,0,0,0,0|0,0,1]=2 9 B26R3.529849969 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)[O-])C CHEBI:51342 [1,0,0,0,0,0|0,0,1]=2 10 B26R3.529849969 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)[O-])C CHEBI:51343 [1,0,0,0,0,0|0,0,1]=2 11 B25R3.529931862 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C CHEBI:18208 [2,0,0,0,0,0|0,0,0]=2 12 B25R3.529931862 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)[O-])C CHEBI:51352 [2,0,0,0,0,0|0,0,1]=3 13 B25R3.529931862 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)[O-])C CHEBI:51354 [2,0,0,0,0,0|0,0,1]=3 14 B25R3.529931862 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)[O-])C CHEBI:51765 [2,0,0,0,0,0|0,0,1]=3 15 B25R3.529931862 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)[O-])C CHEBI:52139 [2,0,0,0,0,0|0,0,1]=3 16 B25R3.529931862 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)[O-])C CHEBI:52151 [2,0,0,0,0,0|0,0,1]=3 17 B25R3.529931862 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)[O-])C CHEBI:52154 [2,0,0,0,0,0|0,0,1]=3 18 B25R3.529931862 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)[O-])C CHEBI:7963 [2,0,0,0,0,0|0,0,1]=3 19 B27R2.41778273 CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccc(cc2)O)N)C(=O)O)C CHEBI:60912 [0,1,1,0,0,0|0,0,0]=2 20 B27R2.41778273 CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccc(cc2)O)N)C(=O)[O-])C CHEBI:133943 [0,1,1,0,0,0|0,0,1]=3 21 B27R2.41778273 CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccc(cc2)O)N)C(=O)[O-])C CHEBI:133944 [0,1,1,0,0,0|0,0,1]=3 22 B27R3.1233615266 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N=C)C(=O)O)C CHEBI:52060 [1,1,0,0,0,0|0,0,1]=3 23 B27R3.1233615266 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N=C)C(=O)[O-])C CHEBI:52062 [1,1,0,0,0,0|0,0,2]=4 24 B27R3.1233615266 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N=C)C(=O)[O-])C CHEBI:52063 [1,1,0,0,0,0|0,0,2]=4 25 B29R3.2204985434 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(c3ccc(c(c3)Cl)Cl)OC)C(=O)O)C CHEBI:131732 [0,2,0,0,0,0|2,0,0]=4 26 B27R3.368466829 CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)SC1)C(=O)O CHEBI:3479 [0,0,1,1,0,0|0,0,2]=4 27 B27R3.368466829 CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)SC1)C(=O)O CHEBI:53667 [0,0,1,1,0,0|0,0,2]=4 28 B27R3.965014054 CC1([C@@H](N[C@H](S1)C2C(=O)NC(C(=O)N2)c3ccc(cc3)O)C(=O)O)C CHEBI:60639 [0,0,1,1,0,0|0,0,0]=2 29 B27R3.600296621 CC(C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O)Oc3ccccc3 CHEBI:52427 [1,0,0,0,0,1|1,0,0]=3 30 B27R3.600296621 CC(C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)[O-])Oc3ccccc3 CHEBI:31987 [1,0,0,0,0,1|1,0,1]=4 31 B27R3.600296621 CC(C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)[O-])Oc3ccccc3 CHEBI:52428 [1,0,0,0,0,1|1,0,1]=4