0 B27R3.368466399 CC1(SC2C(C(=O)N2C1C(=O)O)NC(=O)C(N)C3=CC=C(C=C3)O)C MCULE-1530410000 [0,0,0,0,0,0|0,0,0]=0 1 B27R3.368466399 CC1(SC2C(C(=O)N2C1C(=O)[O-])NC(=O)C(N)C3=CC=C(C=C3)O)C MCULE-2851489988 [0,0,0,0,0,0|0,0,1]=1 2 B27R3.368466399 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)[C@@H](N)C3=CC=C(C=C3)O)C MCULE-8304090437 [0,0,0,0,0,0|0,0,0]=0 3 B27R3.368466399 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)[C@@H](N)C3=CC=C(C=C3)O)C MCULE-9731347948 [0,0,0,0,0,0|0,0,0]=0 4 B27R3.368466399 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)[C@H](N)C3=CC=C(C=C3)O)C MCULE-5710225015 [0,0,0,0,0,0|0,0,0]=0 5 B27R3.368466399 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)[C@H](N)C3=CC=C(C=C3)O)C MCULE-6369098672 [0,0,0,0,0,0|0,0,0]=0 6 B27R3.368466399 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)[O-])NC(=O)C(N)C3=CC=C(C=C3)O)C MCULE-5087691874 [0,0,0,0,0,0|0,0,1]=1 7 B27R3.368466399 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C(N)C3=CC=C(C=C3)O)C(=O)O)(C)C MCULE-3706890337 [0,0,0,0,0,0|0,0,0]=0 8 B27R3.368466399 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C(N)C3=CC=C(C=C3)O)C(=O)O)(C)C MCULE-5004438659 [0,0,0,0,0,0|0,0,0]=0 9 B27R3.368466399 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C(N)C3=CC=C(C=C3)O)C(=O)[O-])(C)C MCULE-1089189344 [0,0,0,0,0,0|0,0,1]=1 10 B27R3.368466399 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=C(C=C3)O)C(=O)[O-])(C)C MCULE-3464348174 [0,0,0,0,0,0|0,0,1]=1 11 B27R3.368466399 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=C(C=C3)O)C(=O)[O-])(C)C MCULE-8260809699 [0,0,0,0,0,0|0,0,1]=1 12 B27R3.368466399 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=C(C=C3)O)C(=O)[O-])(C)C MCULE-8849446524 [0,0,0,0,0,0|0,0,1]=1 13 B26R3.352532111 CC1(SC2C(C(=O)N2C1C(=O)O)NC(=O)NC3=CC=C(C=C3)Cl)C MCULE-7288037419 [1,0,0,0,0,0|2,0,0]=3 14 B26R3.529849969 C(N)(C(=O)NC1C(=O)N2C1SC(C2C(=O)[O-])(C)C)C3=CC=CC=C3 MCULE-1987587935 [1,0,0,0,0,0|0,0,1]=2 15 B26R3.529849969 C12SC(C(N1C(=O)C2NC(=O)C(N)C3=CC=CC=C3)C(=O)O)(C)C MCULE-9842380098 [1,0,0,0,0,0|0,0,0]=1 16 B26R3.529849969 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)C(N)C3=CC=CC=C3)C MCULE-2672389454 [1,0,0,0,0,0|0,0,0]=1 17 B26R3.529849969 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C(N)C3=CC=CC=C3)C(=O)O)(C)C MCULE-9165243575 [1,0,0,0,0,0|0,0,0]=1 18 B26R3.529849969 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)O)(C)C MCULE-4548739840 [1,0,0,0,0,0|0,0,0]=1 19 B26R3.529849969 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)O)(C)C MCULE-6427082224 [1,0,0,0,0,0|0,0,0]=1 20 B26R3.529849969 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)[O-])(C)C MCULE-5702397011 [1,0,0,0,0,0|0,0,1]=2 21 B26R3.529849969 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)[O-])(C)C MCULE-5887110599 [1,0,0,0,0,0|0,0,1]=2 22 B28R3.1031818112 CC1(SC2C(C(=O)N2C1C(=O)O)NC(=O)C(N)C3=CC=C(C(=C3)Cl)O)C MCULE-3935751556 [0,1,0,0,0,0|0,0,0]=1 23 B25R3.529931862 C1(C(=O)N2C1SC(C2C(=O)O)(C)C)NC(=O)CC3=CC=CC=C3 MCULE-3899419884 [2,0,0,0,0,0|0,0,0]=2 24 B25R3.529931862 C12SC(C(N1C(=O)C2NC(=O)CC3=CC=CC=C3)C(=O)[O-])(C)C MCULE-3955575945 [2,0,0,0,0,0|0,0,1]=3 25 B25R3.529931862 CC1(SC2C(C(=O)N2C1C(=O)O)NC(=O)NC3=CC=CC=C3)C MCULE-1036636236 [2,0,0,0,0,0|1,0,0]=3 26 B25R3.529931862 CC1(SC2C(C(=O)N2C1C(=O)[O-])NC(=O)CC3=CC=CC=C3)C MCULE-6846784607 [2,0,0,0,0,0|0,0,1]=3 27 B25R3.529931862 CC1(S[C@@H]2C(C(=O)N2C1C(=O)O)NC(=O)CC3=CC=CC=C3)C MCULE-3964370344 [2,0,0,0,0,0|0,0,0]=2 28 B25R3.529931862 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)CC3=CC=CC=C3)C MCULE-7708800117 [2,0,0,0,0,0|0,0,0]=2 29 B25R3.529931862 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)CC3=CC=CC=C3)C MCULE-8147252616 [2,0,0,0,0,0|0,0,0]=2 30 B25R3.529931862 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)[O-])NC(=O)CC3=CC=CC=C3)C MCULE-5712256399 [2,0,0,0,0,0|0,0,1]=3 31 B25R3.529931862 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)[O-])NC(=O)CC3=CC=CC=C3)C MCULE-7644229995 [2,0,0,0,0,0|0,0,1]=3 32 B25R3.529931862 [C@H]12SC(C(N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)C(=O)O)(C)C MCULE-2769943386 [2,0,0,0,0,0|0,0,0]=2 33 B25R3.529931862 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)C(=O)[O-])(C)C MCULE-1419039665 [2,0,0,0,0,0|0,0,1]=3 34 B25R3.529931862 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)C(=O)[O-])(C)C MCULE-3293179256 [2,0,0,0,0,0|0,0,1]=3 35 B27R2.41778273 CC1(SC(N[C@H]1C(=O)O)C(NC(=O)[C@H](N)C2=CC=C(C=C2)O)C(=O)O)C MCULE-9049393066 [0,1,1,0,0,0|0,0,0]=2 36 B27R3.1233615266 C=NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)C3=CC=CC=C3 MCULE-6173692805 [1,1,0,0,0,0|0,0,1]=3 37 B27R3.1233615266 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C(N=C)C3=CC=CC=C3)C(=O)O)(C)C MCULE-8764737316 [1,1,0,0,0,0|0,0,1]=3 38 B29R3.2204985434 COC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)C3=CC=C(C(=C3)Cl)Cl MCULE-2157547614 [0,2,0,0,0,0|2,0,0]=4 39 B27R3.368466829 C12SCC(=C(N1C(=O)C2NC(=O)C(N)C3=CC=C(C=C3)O)C(=O)O)C MCULE-6662086355 [0,0,1,1,0,0|0,0,2]=4 40 B27R3.368466829 CC1=C(N2C(=O)[C@H]([C@H]2SC1)NC(=O)[C@H](N)C3=CC=C(C=C3)O)C(=O)O MCULE-7729282935 [0,0,1,1,0,0|0,0,2]=4 41 B27R3.368466829 CC1=CS[C@@H]2[C@@H](C(=O)N2C1C(=O)O)NC(=O)[C@H](N)C3=CC=C(C=C3)O MCULE-3318378298 [0,0,1,1,0,0|0,0,2]=4 42 B27R3.368466829 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C(N)C3=CC=C(C=C3)O)C(=O)O)C MCULE-5879011146 [0,0,1,1,0,0|0,0,2]=4 43 B27R3.368466829 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=C(C=C3)O)C(=O)O)C MCULE-6475996520 [0,0,1,1,0,0|0,0,2]=4 44 B27R3.965014054 CC1(SC(NC1C(=O)O)C2NC(=O)C(NC2=O)C3=CC=C(C=C3)O)C MCULE-8335830632 [0,0,1,1,0,0|0,0,0]=2 45 B27R3.965014054 CC1(SC(N[C@H]1C(=O)O)C2NC(=O)C(NC2=O)C3=CC=C(C=C3)O)C MCULE-5809099302 [0,0,1,1,0,0|0,0,0]=2 46 B27R3.600296621 CC(OC1=CC=CC=C1)C(=O)NC2C(=O)N3C2SC(C3C(=O)O)(C)C MCULE-6284795039 [1,0,0,0,0,1|1,0,0]=3 47 B27R3.600296621 CC(OC1=CC=CC=C1)C(=O)NC2C(=O)N3C2SC(C3C(=O)[O-])(C)C MCULE-6075812232 [1,0,0,0,0,1|1,0,1]=4 48 B27R3.600296621 CC(OC1=CC=CC=C1)C(=O)N[C@@H]2C(=O)N3[C@@H]2SC([C@@H]3C(=O)[O-])(C)C MCULE-1290229080 [1,0,0,0,0,1|1,0,1]=4 49 B27R3.600296621 CC(OC1=CC=CC=C1)C(=O)N[C@@H]2C(=O)N3[C@@H]2SC([C@@H]3C(=O)[O-])(C)C MCULE-4036365413 [1,0,0,0,0,1|1,0,1]=4 50 B27R3.600296621 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)[C@H](C)OC3=CC=CC=C3)C(=O)O)(C)C MCULE-1638205780 [1,0,0,0,0,1|1,0,0]=3