0 B9R0.4 C=CCOC(=O)CC(C)=O A39287 [1,0,0,0,0,0|0,0,2]=3 1 B9R0.4 CC(=O)CC(=O)NCCO H41517 [1,0,0,0,0,0|2,0,0]=3 2 B11R1.74 CC(C)C1CC(=O)CC(=O)C1 P61959 [0,0,0,1,0,0|1,0,0]=2 3 B11R1.645 CC(C)CN1CC(=O)OC1=O B43775 [0,0,0,1,0,0|2,0,0]=3 4 B11R1.645 CC(C)C[C@@H]1NC(=O)NC1=O B43792 [0,0,0,1,0,0|3,0,0]=4 5 B11R1.645 CC(C)C[C@@H]1NC(=O)OC1=O B43777 [0,0,0,1,0,0|3,0,0]=4 6 B9R0.53 CC(C)C[C@H](N)CC(=O)O A43926 [0,0,0,0,1,0|2,0,1]=4 7 B9R0.53 CC(C)C[C@H](N)CC(=O)O A43928 [0,0,0,0,1,0|2,0,1]=4 8 B9R0.53 CC(C)OC(=O)OC(C)C D38665 [0,0,0,0,1,0|2,0,1]=4 9 B9R0.53 CC(C)OC(=O)O[C@H](C)Cl C39199 [0,0,0,0,1,0|2,0,1]=4 10 B11R0.85 CC(C)CCC(=O)CCN(C)C D53347 [0,0,0,0,0,1|3,0,0]=4 11 B8R0.5 CCOC(=O)CC(=O)[O-] P39163 [2,0,0,0,0,0|1,0,0]=3 12 B8R0.5 CCOC(=O)CC(N)=O E38643 [2,0,0,0,0,0|1,0,0]=3 13 B8R0.5 CCOC(=O)CC(N)=S E6802 [2,0,0,0,0,0|1,1,0]=4 14 B8R0.5 CCOC(=O)C[C@@H](C)O E64944 [2,0,0,0,0,0|0,0,2]=4 15 B8R0.5 CCOC(=O)C[C@H](C)N E43492 [2,0,0,0,0,0|1,0,1]=4 16 B8R0.5 CCOC(=O)C[C@H](C)N E61042 [2,0,0,0,0,0|1,0,1]=4 17 B10R0.18 CCCCC(=O)CC(=O)OC M47093 [1,1,0,0,0,0|1,0,0]=3 18 B10R0.31 CC(=O)CC(=O)SC(C)(C)C B64429 [0,1,0,0,1,0|0,1,0]=3 19 B10R0.31 CC(C)(C)OC(=O)CC(=O)O B39291 [0,1,0,0,1,0|1,0,0]=3 20 B10R0.31 CC(C)(C)OC(=O)CC(=O)[O-] P61500 [0,1,0,0,1,0|1,0,0]=3 21 B12R0.3 CC(C)CC(=O)OC(=O)CC(C)C M62640 [0,1,0,0,0,1|1,0,1]=4 22 B10R1.266 CC(=O)CC(=O)C1CCC1 C6255 [1,0,0,1,0,0|1,0,0]=3 23 B10R1.59 CC(C)[C@@H]1NC(=O)NC1=O P41435 [1,0,0,1,0,0|2,0,0]=4 24 B10R1.59 CC(C)[C@@H]1OC(N)=NC1=O K64666 [1,0,0,1,0,0|2,0,0]=4 25 B10R1.63 CC1(C)CCC(=O)CC1=O D47019 [1,0,0,1,0,0|1,0,0]=3 26 B10R1.138 CCCC(=O)OC[C@H]1CO1 G39289 [1,0,0,1,0,0|1,0,1]=4 27 B10R1.329 CC1(C)CC(=O)C=C(Cl)C1 C60664 [0,0,0,1,1,0|1,0,1]=4 28 B10R1.329 CC1(C)CC(=O)CC(=O)N1 D67601 [0,0,0,1,1,0|1,0,0]=3 29 B10R1.329 CC1(C)CC(=O)NC(=O)C1 D16646 [0,0,0,1,1,0|1,0,0]=3 30 B10R1.329 CC1=CC(=O)CC(C)(C)C1 T60774 [0,0,0,1,1,0|1,0,1]=4 31 B12R1.101 CC(C)CC1CC(=O)OC(=O)C1 B50441 [0,0,0,1,0,1|2,0,0]=4 32 B8R0.23 C=C(C)C(=O)NC(C)C P43839 [0,0,0,0,2,0|2,0,0]=4 33 B8R0.23 CC(=O)C(=O)OC(C)C P65400 [0,0,0,0,2,0|0,0,0]=2 34 B8R0.23 CC(C)OC(=O)[C@@H](C)N P66866 [0,0,0,0,2,0|1,0,1]=4 35 B8R0.23 CC(C)OC(=O)[C@H](C)N P39284 [0,0,0,0,2,0|1,0,1]=4