0 B14R0.351 CC(C)(CO)C(O)C(=O)NCCC(=O)O MCULE-3265382460 [0,0,0,0,0,0|0,0,0]=0 1 B14R0.351 CC(C)(CO)C(O)C(=O)NCCC(=O)[O-] MCULE-2056097738 [0,0,0,0,0,0|0,0,1]=1 2 B14R0.351 CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O MCULE-5240561887 [0,0,0,0,0,0|0,0,0]=0 3 B14R0.351 CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O MCULE-8097752290 [0,0,0,0,0,0|0,0,0]=0 4 B14R0.351 CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-] MCULE-2421775254 [0,0,0,0,0,0|0,0,1]=1 5 B14R0.351 CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-] MCULE-6723611574 [0,0,0,0,0,0|0,0,1]=1 6 B14R0.351 CC(C)(CO)[C@H](O)C(=O)NCCC(=O)[O-] MCULE-5786030044 [0,0,0,0,0,0|0,0,1]=1 7 B14R0.351 CC(C)(CO)[C@H](O)C(=O)NCCC(=O)[O-] MCULE-6976092896 [0,0,0,0,0,0|0,0,1]=1 8 B13R0.1262 CC(C)(CO)C(O)C(=O)NCCC#N MCULE-3963612176 [1,0,0,0,0,0|1,0,1]=3 9 B13R0.1262 CC(C)(CO)C(O)C(=O)NCCCO MCULE-2403906933 [1,0,0,0,0,0|0,0,1]=2 10 B13R0.1262 CC(C)(CO)[C@@H](O)C(=O)NCCCO MCULE-3835575935 [1,0,0,0,0,0|0,0,1]=2 11 B13R0.1262 CC(C)(CO)[C@@H](O)C(=O)NCCCO MCULE-8002120726 [1,0,0,0,0,0|0,0,1]=2 12 B13R0.1262 CC(C)(CO)[C@H](O)C(=O)NCCCO MCULE-2237944433 [1,0,0,0,0,0|0,0,1]=2 13 B15R0.1220 CC(C)(CO)C(O)C(=O)NCCS(=O)(=O)[O-] MCULE-1644670615 [0,1,0,0,0,0|1,0,1]=3 14 B15R0.1220 CC(C)(CO)C(O)C(=O)NCCS(=O)(=O)[O-] MCULE-8117435236 [0,1,0,0,0,0|1,0,1]=3 15 B15R0.1220 CC(C)(CO)[C@@H](O)C(=O)NCCS(=O)(=O)O MCULE-2549326165 [0,1,0,0,0,0|1,0,0]=2 16 B15R0.1219 CC(C)(CO)[C@@H](O)C(=O)NCCCC(=O)O MCULE-2715400748 [0,0,0,0,0,1|0,0,0]=1 17 B15R0.1219 CC(C)(CO)[C@@H](O)C(=O)NCCCC(=O)O MCULE-4876714456 [0,0,0,0,0,1|0,0,0]=1 18 B12R0.140 CC(=O)CCNC(=O)OC(C)(C)C MCULE-2229609854 [2,0,0,0,0,0|2,0,0]=4 19 B12R0.140 CC(C)(C)NC(=O)CCCC(=O)O MCULE-2653933908 [2,0,0,0,0,0|2,0,0]=4 20 B12R0.140 CC(C)(C)OC(=O)CCCC(=O)O MCULE-3148089014 [2,0,0,0,0,0|2,0,0]=4 21 B12R0.140 CC(C)(C)OC(=O)NCCC(=O)N MCULE-5963645189 [2,0,0,0,0,0|2,0,0]=4 22 B12R0.140 CC(C)(C)OC(=O)NCCC(=O)O MCULE-1010772282 [2,0,0,0,0,0|1,0,0]=3 23 B12R0.140 CC(C)(C)OC(=O)NOCC(=O)O MCULE-7009834146 [2,0,0,0,0,0|2,0,0]=4 24 B12R0.143 CC(C)(C)[C@H](N)C(=O)NCCCO MCULE-3263894500 [2,0,0,0,0,0|1,0,1]=4 25 B12R0.143 CC(C)(C)[C@H](N)C(=O)NCCCO MCULE-7512063567 [2,0,0,0,0,0|1,0,1]=4 26 B14R0.2175 C[C@H](NC(=O)[C@H](O)C(C)(C)CO)C(=O)O MCULE-4737314911 [0,1,0,0,1,0|0,0,0]=2 27 B16R0.8809 CC(C)(CO)C(O)C(=O)NCCCS(=O)(=O)[O-] MCULE-1791217794 [0,1,0,0,0,1|1,0,1]=4 28 B16R0.8809 CC(C)(CO)C(O)C(=O)NCCCS(=O)(=O)[O-] MCULE-4938211914 [0,1,0,0,0,1|1,0,1]=4 29 B12R0.88 CCC(C)C(N)C(=O)NCC(=O)O MCULE-4944653147 [1,0,0,0,1,0|2,0,0]=4 30 B12R0.88 CC[C@H](C)[C@H](N)C(=O)NCC(=O)O MCULE-1797638599 [1,0,0,0,1,0|2,0,0]=4 31 B12R0.88 CC[C@H](C)[C@H](N)C(=O)NCC(=O)O MCULE-2901789442 [1,0,0,0,1,0|2,0,0]=4 32 B12R0.259 CC(C)(C)[C@H](N)C(=O)NCC(=O)N MCULE-9399281397 [1,0,0,0,1,0|2,0,0]=4 33 B12R0.259 CC(C)(C)[C@H](N)C(=O)NCC(=O)O MCULE-5242123937 [1,0,0,0,1,0|1,0,0]=3 34 B14R0.1422 CC(C)(O)CC(O)C(=O)NCCC(=O)[O-] MCULE-1424820836 [1,0,0,0,0,1|0,0,1]=3 35 B14R0.1422 CC(C)(O)CC(O)C(=O)NCCC(=O)[O-] MCULE-9154333501 [1,0,0,0,0,1|0,0,1]=3 36 B14R0.1435 CC(=O)NCCNC(=O)[C@@H](N)C(C)(C)C MCULE-1197437436 [1,0,0,0,0,1|2,0,0]=4 37 B14R0.1435 CC(C)(C)[C@H](N)C(=O)NCCCC(=O)O MCULE-8566856629 [1,0,0,0,0,1|1,0,0]=3