0 B17R1.4995 CC(CNC(=O)C(NC(=O)c1cccs1)C)C Amb16112740 [0,0,0,0,0,0|3,0,1]=4 1 B16R1.1297 O=C(CCC(=O)O)CCC(=O)c1cccs1 Amb1055771 [1,0,0,0,0,0|2,0,0]=3 2 B16R1.1297 OC(=O)CNC(=O)CCC(=O)c1ccc[s]1 Amb18872253 [1,0,0,0,0,0|1,0,0]=2 3 B16R1.1469 C#CCNC(=O)C(NC(=O)c1cccs1)C Amb16118728 [1,0,0,0,0,0|2,0,1]=4 4 B16R1.1469 C=CCNC(=O)C(NC(=O)c1cccs1)C Amb16112714 [1,0,0,0,0,0|2,0,0]=3 5 B16R1.1469 CC(NC(=O)c1ccco1)C(=O)NCC=C Amb22265974 [1,0,0,0,0,0|2,1,0]=4 6 B18R1.9244 CC(NC(=O)c1ccc(Br)[s]1)C(=O)NCC(C)O Amb20628524 [0,1,0,0,0,0|2,0,1]=4 7 B18R1.20940 CC(NC(=O)C(C)NC(=O)c1cocc1)C(O)=O Amb25561316 [0,1,0,0,0,0|3,0,0]=4 8 B18R1.20940 C[C@H](NC(=O)C(C)NC(=O)c1cocc1)C(O)=O Amb24894883 [0,1,0,0,0,0|3,0,0]=4 9 B18R1.20965 CC(NC(=O)c1cocc1)C(=O)N(C)CC(O)=O Amb24888033 [0,1,0,0,0,0|3,0,0]=4 10 B16R1.6931 NC(=O)NC(=O)C(OC(=O)c1cccs1)C Amb1179651 [0,0,0,0,1,0|1,1,0]=3 11 B18R1.5064 CC(SC(=O)c1ccccc1)C(=O)NCC(O)=O Amb24079704 [0,0,0,0,0,1|1,0,0]=2 12 B18R1.5064 C[C@@H](NC(=O)c1ccccc1)C(=O)SCC(O)=O Amb22750653 [0,0,0,0,0,1|3,0,0]=4 13 B18R1.21049 CC(NC(=O)c1cocc1)C(=O)NCCC(O)=O Amb24866112 [0,0,0,0,0,1|3,0,0]=4 14 B15R1.593 C=CCNC(=O)CCC(=O)c1cccs1 Amb17342816 [2,0,0,0,0,0|2,0,0]=4 15 B17R1.1365 CNC(=O)CNC(=O)CCC(=O)c1ccc[s]1 Amb20703387 [1,1,0,0,0,0|2,0,0]=4 16 B17R1.1365 COC(=O)CNC(=O)COC(=O)c1cccs1 Amb2278093 [1,1,0,0,0,0|0,1,0]=3 17 B17R1.4495 CC(NC(=O)CCC(=O)c1ccc[s]1)C(O)=O Amb18878449 [1,1,0,0,0,0|1,0,0]=3 18 B17R1.4495 C[C@@H](NC(=O)CCC(=O)c1ccc[s]1)C(O)=O Amb24906056 [1,1,0,0,0,0|1,0,0]=3 19 B17R1.4495 C[C@H](NC(=O)CNC(=O)c1ccc[s]1)C(O)=O Amb24788305 [1,1,0,0,0,0|1,0,0]=3 20 B17R1.8223 Nc1ccc(o1)C(=O)NCC(=O)NCC(O)=O Amb18107167 [1,1,0,0,0,0|1,1,0]=4 21 B17R1.8306 CN(CC(O)=O)C(=O)CCC(=O)c1ccc[s]1 Amb18878448 [1,1,0,0,0,0|1,0,0]=3 22 B19R1.43302 CC(NC(=O)c1ccc(Cl)cc1)C(=O)NCC(O)=O Amb25573466 [0,1,0,0,0,1|2,0,0]=4 23 B19R1.44954 COC(=O)CCNC(=O)C(NC(=O)c1cccs1)C Amb11268633 [0,1,0,0,0,1|1,0,0]=3 24 B19R1.146312 CC(NC(=O)c1ccc(Br)[s]1)C(=O)NCCC(O)=O Amb24866217 [0,1,0,0,0,1|1,0,0]=3 25 B19R1.146310 CC(NC(=O)c1ccc(Br)[s]1)C(=O)N(C)CC(O)=O Amb24889520 [0,2,0,0,0,0|1,0,0]=3 26 B19R1.146311 C[C@H](NC(=O)C(C)NC(=O)c1ccc(Br)[s]1)C(O)=O Amb24895165 [0,2,0,0,0,0|1,0,0]=3 27 B19R1.44529 COC(=O)[C@@H](NC(=O)C(NC(=O)c1cccs1)C)C Amb11486468 [0,2,0,0,0,0|1,0,0]=3 28 B19R1.74021 C[C@H](NC(=O)C(C)NS(=O)(=O)c1ccc[s]1)C(O)=O Amb24894380 [0,2,0,0,0,0|2,0,0]=4 29 B19R1.278626 NC(=O)[C@H](NC(=O)C(NC(=O)c1cccs1)(C)C)C Amb15698680 [0,2,0,0,0,0|2,0,0]=4 30 B19R1.280786 CC(NC(=O)c1ccc[s]1)C(=O)NC(C)(C)C(O)=O Amb24810390 [0,2,0,0,0,0|1,0,0]=3 31 B19R1.280786 CC(NC(=O)c1ccco1)C(=O)NC(C)(C)C(O)=O Amb24810350 [0,2,0,0,0,0|1,1,0]=4 32 B19R1.49433 CC(NS(=O)(=O)c1ccc[s]1)C(=O)N(C)CC(O)=O Amb24888456 [0,2,0,0,0,0|2,0,0]=4 33 B19R1.62243 CCN(CC(O)=O)C(=O)C(C)NC(=O)c1ccc[s]1 Amb25419310 [0,2,0,0,0,0|1,0,0]=3 34 B19R1.62243 CCN(CC(O)=O)C(=O)C(C)NC(=O)c1ccco1 Amb25419214 [0,2,0,0,0,0|1,1,0]=4 35 B17R1.14407 OC(=O)CNC(=O)C(Sc1cccc(c1)C)C Amb17145609 [0,0,1,1,0,0|2,0,0]=4 36 B17R1.14407 OC(=O)CNC(=O)C(Sc1cccc(c1)Cl)C Amb17147234 [0,0,1,1,0,0|2,0,0]=4 37 B17R1.8994 OC(=O)CNC(=O)C(Sc1ccccc1Cl)C Amb17147233 [0,0,1,1,0,0|2,0,0]=4 38 B17R2.19339 O=C1CN(C(C1)C(=O)O)C(=O)c2cccs2 Amb17347998 [1,0,0,1,0,0|2,0,0]=4 39 B19R2.500466 OC(=O)CN1CCC(SC(=O)c2ccc[s]2)C1=O Amb24069152 [0,1,0,1,0,0|0,0,0]=2 40 B15R1.5912 CC(CCC(O)=O)NC(=O)c1ccc[s]1 Amb24271772 [1,0,0,0,1,0|1,0,1]=4 41 B15R1.511 NC(=O)NC(=O)COC(=O)c1cccs1 Amb1179627 [1,0,0,0,1,0|1,1,0]=4 42 B17R1.1327 OC(=O)CNC(=O)CCC(=O)c1ccccc1 Amb18870527 [1,0,0,0,0,1|2,0,0]=4 43 B17R1.4998 NC(=O)CNC(=O)CCNC(=O)c1ccc[s]1 Amb23912945 [1,0,0,0,0,1|2,0,0]=4 44 B19R1.49285 CC(NC(=O)Nc1ccccc1)C(=O)NCC(O)=O Amb25574597 [0,0,0,0,0,2|2,0,0]=4