0 B27R3.368466829 C12SCC(=C(N1C(=O)C2NC(=O)C(N)C3=CC=C(C=C3)O)C(=O)O)C MCULE-6662086355 [0,0,0,0,0,0|0,0,0]=0 1 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 [0,0,0,0,0,0|0,0,0]=0 2 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 [0,0,0,0,0,0|0,0,2]=2 3 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 [0,0,0,0,0,0|0,0,0]=0 4 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 [0,0,0,0,0,0|0,0,0]=0 5 B26R3.23654886 C12SCC(=C(N1C(=O)C2NC(=O)C(N)C3=CC=CC=C3)C(=O)O)C MCULE-1853559171 [1,0,0,0,0,0|0,0,0]=1 6 B26R3.23654886 C12SCC(=C(N1C(=O)C2NC(=O)C(N)C3=CC=CC=C3)C(=O)O)Cl MCULE-5781274078 [1,0,0,0,0,0|1,0,0]=2 7 B26R3.23654886 CC1=C(N2C(=O)C(C2SC1)NC(=O)C(N)C3=CC=CC=C3)C(=O)O MCULE-3991042009 [1,0,0,0,0,0|0,0,0]=1 8 B26R3.23654886 CC1=C(N2C(=O)C(C2SC1)NC(=O)C(N)C3=CCC=CC3)C(=O)O MCULE-1711430402 [1,0,0,0,0,0|0,0,2]=3 9 B26R3.23654886 CC1=C(N2C(=O)C(C2SC1)NC(=O)C(O)C3=CC=CC=C3)C(=O)[O-] MCULE-3017588868 [1,0,0,0,0,0|1,0,1]=3 10 B26R3.23654886 CC1=C(N2C(=O)C(C2SC1)NC(=O)C(O)C3=CC=CC=C3)C(=O)[O-] MCULE-9701469937 [1,0,0,0,0,0|1,0,1]=3 11 B26R3.23654886 CC1=C(N2C(=O)[C@@H](C2SC1)NC(=O)[C@@H](N)C3=CC=CC=C3)C(=O)[O-] MCULE-1996116502 [1,0,0,0,0,0|0,0,1]=2 12 B26R3.23654886 CC1=C(N2C(=O)[C@@H](C2SC1)NC(=O)[C@@H](N)C3=CC=CC=C3)C(=O)[O-] MCULE-3168963389 [1,0,0,0,0,0|0,0,1]=2 13 B26R3.23654886 CC1=C(N2C(=O)[C@H]([C@H]2SC1)NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)[O-] MCULE-2615137745 [1,0,0,0,0,0|0,0,1]=2 14 B26R3.23654886 CC1=C(N2C(=O)[C@H]([C@H]2SC1)NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)[O-] MCULE-4380957710 [1,0,0,0,0,0|0,0,1]=2 15 B26R3.23654886 NC(C(=O)NC1C(=O)N2C1CCC(=C2C(=O)O)Cl)C3=CC=CC=C3 MCULE-4137409818 [1,0,0,0,0,0|2,0,0]=3 16 B26R3.23654886 N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)Cl)C3=CC=CC=C3 MCULE-7554932702 [1,0,0,0,0,0|1,0,0]=2 17 B26R3.23654886 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C(O)C3=CC=CC=C3)C(=O)O)C MCULE-7939714969 [1,0,0,0,0,0|1,0,0]=2 18 B26R3.23654886 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)O)C MCULE-1022568448 [1,0,0,0,0,0|0,0,0]=1 19 B26R3.23654886 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)O)C MCULE-3162089804 [1,0,0,0,0,0|0,0,0]=1 20 B26R3.23654886 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)O)C MCULE-4867478881 [1,0,0,0,0,0|0,0,0]=1 21 B26R3.23654886 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)O)Cl MCULE-4099023270 [1,0,0,0,0,0|1,0,0]=2 22 B26R3.23654886 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CCC=CC3)C(=O)O)C MCULE-5616371730 [1,0,0,0,0,0|0,0,2]=3 23 B26R3.23654886 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CCC=CC3)C(=O)O)C MCULE-5742204854 [1,0,0,0,0,0|0,0,2]=3 24 B28R3.1031818292 C(N)(C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C)C3=CC=C(C(=C3)Cl)O MCULE-1549529043 [0,1,0,0,0,0|0,0,0]=1 25 B25R3.18492161 CC1=C(N2C(=O)C(C2SC1)NC(=O)CC3=CC=CC=C3)C(=O)O MCULE-4321166137 [2,0,0,0,0,0|0,0,0]=2 26 B25R3.18492161 [C@H]1(C(=O)N2[C@@H]1SCC(=C2C(=O)O)C)NC(=O)CC3=CC=CC=C3 MCULE-8625661009 [2,0,0,0,0,0|0,0,0]=2 27 B27R3.75019564 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C(N)C3=CC=CC=C3)C(=O)O)CO MCULE-4273786575 [1,1,0,0,0,0|0,0,0]=2 28 B27R3.75019564 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CCC=CC3)C(=O)O)OC MCULE-9059174305 [1,1,0,0,0,0|0,0,2]=4 29 B27R3.368466399 CC1(SC2C(C(=O)N2C1C(=O)O)NC(=O)C(N)C3=CC=C(C=C3)O)C MCULE-1530410000 [0,1,0,0,1,0|0,0,2]=4 30 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 [0,1,0,0,1,0|0,0,2]=4 31 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 [0,1,0,0,1,0|0,0,2]=4 32 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 [0,1,0,0,1,0|0,0,2]=4 33 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 [0,1,0,0,1,0|0,0,2]=4 34 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 [0,1,0,0,1,0|0,0,2]=4 35 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 [0,1,0,0,1,0|0,0,2]=4 36 B29R3.60360606 C/C=C/C1=C(N2C(=O)[C@H]([C@H]2SC1)NC(=O)[C@H](N)C3=CC=C(C=C3)O)C(=O)O MCULE-8482198459 [0,2,0,0,0,0|0,0,0]=2 37 B29R3.60360606 C/C=C\C1=C(N2C(=O)[C@H]([C@H]2SC1)NC(=O)[C@H](N)C3=CC=C(C=C3)O)C(=O)O MCULE-7224160199 [0,2,0,0,0,0|0,0,0]=2 38 B29R3.60360606 CC=CC1=C(N2C(=O)C(C2SC1)NC(=O)C(N)C3=CC=C(C=C3)O)C(=O)O MCULE-6670719347 [0,2,0,0,0,0|0,0,0]=2 39 B29R3.60360606 CC=CC1=C(N2C(=O)[C@H]([C@H]2SC1)NC(=O)[C@H](N)C3=CC=C(C=C3)O)C(=O)O MCULE-2499631633 [0,2,0,0,0,0|0,0,0]=2 40 B29R3.60360606 [C@@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=C(C=C3)O)C(=O)O)/C=C/C MCULE-9792342723 [0,2,0,0,0,0|0,0,0]=2 41 B29R3.60360606 [C@@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=C(C=C3)O)C(=O)O)C=CC MCULE-2688310388 [0,2,0,0,0,0|0,0,0]=2