0 B26R3.529849969 CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(O)=O Amb17942831 [0,0,0,0,0,0|0,0,0]=0 1 B26R3.529849969 CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O Amb24121392 [0,0,0,0,0,0|0,0,0]=0 2 B26R3.529849969 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H]([15NH2])c3ccccc3)C(=O)N2[C@H]1C(O)=O Amb22338917 [0,0,0,0,0,0|0,0,0]=0 3 B26R3.529849969 NC(c1ccccc1)C(=O)NC2C(=O)N3C2SC(C3C(=O)[O-])(C)C Amb1865518 [0,0,0,0,0,0|0,0,1]=1 4 B26R3.529849969 N[C@@H](c1ccccc1)C(=O)N[C@H]2C(=O)N3[C@H]2SC([C@H]3C(=O)[O-])(C)C Amb10072223 [0,0,0,0,0,0|0,0,1]=1 5 B26R3.529849969 [C@H]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(N)c3ccccc3)C([O-])=O Amb17942876 [0,0,0,0,0,0|0,0,1]=1 6 B25R3.529931862 CC1(C)S[C@@H]2C(NC(=O)Cc3ccccc3)C(=O)N2C1C([O-])=O Amb19372807 [1,0,0,0,0,0|0,0,1]=2 7 B25R3.529931862 CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O Amb22167963 [1,0,0,0,0,0|0,0,0]=1 8 B25R3.529931862 CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O Amb22801185 [1,0,0,0,0,0|0,0,0]=1 9 B25R3.529931862 O=C(Cc1ccccc1)NC2C(=O)N3C2SC(C3C(=O)O)(C)C Amb10845073 [1,0,0,0,0,0|0,0,0]=1 10 B25R3.529931862 O=C(Cc1ccccc1)NC2C(=O)N3C2SC(C3C(=O)[O-])(C)C Amb1029334 [1,0,0,0,0,0|0,0,1]=2 11 B25R3.529931862 O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)Cc3ccccc3 Amb15691440 [1,0,0,0,0,0|0,0,0]=1 12 B25R3.529931862 [C@H]12SC(C)(C)C(N1C(=O)[C@H]2NC(=O)Cc3ccccc3)C(O)=O Amb17943818 [1,0,0,0,0,0|0,0,0]=1 13 B27R3.368466399 CC1(C)SC2C(NC(=O)C(N)c3ccc(O)cc3)C(=O)N2C1C(O)=O Amb23591623 [0,1,0,0,0,0|0,0,0]=1 14 B27R3.368466399 CC1(C)SC2[C@@H](NC(=O)C(N)c3ccc(O)cc3)C(=O)C2C1C(O)=O Amb22901126 [0,1,0,0,0,0|1,0,0]=2 15 B27R3.368466399 CC1(C)SC2[C@@H](NC(=O)[C@@H](N)c3ccc(O)cc3)C(=O)N2[C@@H]1C(O)=O Amb24121245 [0,1,0,0,0,0|0,0,0]=1 16 B27R3.368466399 CC1(C)S[C@@H]2[C@H](NC(=O)C(N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O Amb22352968 [0,1,0,0,0,0|0,0,0]=1 17 B27R3.368466399 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O Amb22583910 [0,1,0,0,0,0|0,0,0]=1 18 B27R3.368466399 N[C@H](c1ccc(cc1)Br)C(=O)N[C@@H]2C(=O)N3[C@@H]2SC([C@@H]3C(=O)O)(C)C Amb17609919 [0,1,0,0,0,0|0,0,0]=1 19 B27R3.368466399 O=C(C(c1ccc(cc1)O)[NH3+])NC2C(=O)N3C2SC(C3C(=O)O)(C)C Amb10845654 [0,1,0,0,0,0|0,0,1]=2 20 B27R3.368466399 O=C([C@@H]([13c]1[13cH][13cH][13c]([13cH][13cH]1)O)N)N[C@@H]2C(=O)N3[C@@H]2SC([C@@H]3C(=O)O)(C)C Amb17608367 [0,1,0,0,0,0|0,0,0]=1 21 B27R3.368466399 O=C([C@H](c1ccc(cc1)O)N)N[C@@H]2C(=O)N3[C@@H]2SC([C@@H]3C(=O)O)(C)C Amb10843657 [0,1,0,0,0,0|0,0,0]=1 22 B27R3.368466399 O=C([C@H](c1ccc(cc1)O)N)N[C@H]2C(=O)N3[C@H]2SC([C@H]3C(=O)O)(C)C Amb10072221 [0,1,0,0,0,0|0,0,0]=1 23 B27R3.368466399 O=[13C]([13CH](c1ccc(cc1)O)[15NH2])N[C@@H]2C(=O)N3[C@@H]2SC([C@@H]3C(=O)O)(C)C Amb17608366 [0,1,0,0,0,0|0,0,0]=1 24 B27R3.368466399 [C@@H]12SC(C)(C)[C@H](N1C(=O)[C@@H]2NC(=O)C(N)c3ccc(O)cc3)C(O)=O Amb17943018 [0,1,0,0,0,0|0,0,0]=1 25 B27R3.1233615266 CC1(C)S[C@@H]2[C@H](NC(=O)C(N=C)c3ccccc3)C(=O)N2[C@@H]1C(O)=O Amb24113714 [0,1,0,0,0,0|0,0,1]=2 26 B27R3.600296621 CC(C(=O)NC1C(=O)N2C1SC(C2C(=O)[O-])(C)C)Oc3ccccc3 Amb1865606 [0,0,0,0,0,1|1,0,1]=3 27 B27R3.600296621 CC(Oc1ccccc1)C(=O)NC2C3SC(C)(C)C(C(O)=O)N3C2=O Amb22733683 [0,0,0,0,0,1|1,0,0]=2 28 B27R3.600296621 CC(Oc1ccccc1)C(=O)N[C@@H]2[C@@H]3SC(C)(C)[C@@H](C([O-])=O)N3C2=O Amb22799712 [0,0,0,0,0,1|1,0,1]=3 29 B26R3.1489514621 O=C(Cc1ccccc1)NC2C(=O)N3C2S(=O)C(C3C(=O)O)(C)C Amb1841525 [1,1,0,0,0,0|0,0,1]=3 30 B28R3.895547198 CCC(C(=O)NC1C(=O)N2C1SC(C2C(=O)[O-])(C)C)Oc3ccccc3 Amb1865607 [0,1,0,0,0,1|1,0,1]=4 31 B28R3.895547198 CCC(Oc1ccccc1)C(=O)NC2C3SC(C)(C)C(C(O)=O)N3C2=O Amb22732244 [0,1,0,0,0,1|1,0,0]=3 32 B28R3.895547198 CCC(Oc1ccccc1)C(=O)N[C@@H]2[C@@H]3SC(C)(C)[C@@H](C([O-])=O)N3C2=O Amb22799645 [0,1,0,0,0,1|1,0,1]=4 33 B28R3.1035357998 CC1(C)SC2(C)C(NC(=O)C(N)c3ccc(O)cc3)C(=O)N2C1C(O)=O Amb24195656 [0,2,0,0,0,0|0,0,0]=2 34 B28R3.862765617 CC1(C)SC2C(NC(=O)C(N=[N+]=[N-])c3ccccc3)C(=O)N2C1C(O)=O Amb22730282 [0,2,0,0,0,0|0,0,1]=3 35 B28R3.5155356400 O=C(C(c1ccccc1)C(=O)O)NC2C(=O)N3C2SC(C3C(=O)O)(C)C Amb10845643 [0,2,0,0,0,0|1,0,0]=3 36 B28R3.5155356400 O=C(C(c1ccccc1)C(=O)[O-])N[C@H]2C(=O)N3[C@H]2SC([C@H]3C(=O)[O-])(C)C Amb10072287 [0,2,0,0,0,0|1,0,1]=4 37 B26R3.23654886 CC1=C(N2C(SC1)C(NC(=O)C(N)c3ccccc3)C2=O)C(O)=O Amb17917637 [0,0,1,1,0,0|0,0,2]=4 38 B26R3.23654886 CC=1CSC2[C@@H](NC(=O)[C@@H](N)c3ccccc3)C(=O)N2C1C(O)=O Amb19131171 [0,0,1,1,0,0|0,0,2]=4 39 B26R3.23654886 CC=1CSC2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2C1C(O)=O Amb22350067 [0,0,1,1,0,0|0,0,2]=4 40 B26R3.23654886 CC=1CS[C@@H]2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(O)=O Amb22264871 [0,0,1,1,0,0|0,0,2]=4 41 B26R3.23654886 CC=1CS[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccccc3)C(=O)N2C1C(O)=O Amb22353915 [0,0,1,1,0,0|0,0,2]=4 42 B26R3.23654886 CC=1CS[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2C1C(O)=O Amb22735249 [0,0,1,1,0,0|0,0,2]=4 43 B26R3.529849978 CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C([O-])=O Amb22369869 [1,0,0,0,0,1|0,0,1]=3 44 B26R3.529849978 O=C(NC1C(=O)N2C1SC(C2C(=O)O)(C)C)COc3ccccc3 Amb1865559 [1,0,0,0,0,1|0,0,0]=2 45 B26R3.529849978 O=C(N[C@H]1C(=O)N2[C@H]1SC([C@H]2C(=O)[O-])(C)C)COc3ccccc3 Amb10072506 [1,0,0,0,0,1|0,0,1]=3