0 B7R0.6 CC(=O)NCC(C)O CS-0223956 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.6 C[C@H](N)CCC(=O)O CS-0753666 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.6 O=C(O)\C=C/C(=O)O CS-0015079 [0,0,0,0,0,0|0,0,2]=2 3 B6R0.4 C=CCOC(N)=O CS-0199028 [1,0,0,0,0,0|3,0,0]=4 4 B6R0.4 O=C(O)CCCF CS-0491783 [1,0,0,0,0,0|1,0,1]=3 5 B8R0.9 NC[C@@H](N)CCC(=O)O CS-0539323 [0,1,0,0,0,0|2,0,1]=4 6 B8R0.9 O=C(O)CNC(=O)CBr CS-0147668 [0,1,0,0,0,0|2,0,0]=3 7 B8R0.23 CC(C)C[C@H](Br)C(=O)O CS-0134712 [0,1,0,0,0,0|2,0,1]=4 8 B8R0.23 C[C@@H](CC(=O)O)C(=O)O CS-0035659 [0,1,0,0,0,0|0,0,0]=1 9 B8R0.23 NC(=O)C[C@H](N)C(=O)O CS-W018159 [0,1,0,0,0,0|1,0,0]=2 10 B8R0.29 CC(C)(C)CCC(=O)O CS-0440906 [0,1,0,0,0,0|2,0,1]=4 11 B8R0.29 CC(C)(F)CCC(=O)O CS-0867883 [0,1,0,0,0,0|2,0,1]=4 12 B8R0.29 O=C(O)CCP(=O)(O)O CS-W018060 [0,1,0,0,0,0|1,0,0]=2 13 B8R0.29 O=C(O)CCS(=O)(=O)O CS-0526977 [0,1,0,0,0,0|1,0,0]=2 14 B8R1.77 CC1(C)C[C@@H]1C(=O)O CS-W019469 [0,0,0,1,0,0|2,0,1]=4 15 B6R0.2 O=C(O)CC(F)F CS-0054587 [0,0,0,0,1,0|2,0,1]=4 16 B5R0.2 C=CCCCO CS-W011355 [2,0,0,0,0,0|1,0,1]=4 17 B7R0.2 NC[C@@H](O)CC(=O)O CS-W023137 [1,1,0,0,0,0|1,0,1]=4 18 B7R0.3 COC(=O)CCCO CS-0042326 [1,1,0,0,0,0|0,0,1]=3 19 B7R0.4 CC(=O)CCCCO CS-0514254 [1,1,0,0,0,0|1,0,1]=4 20 B7R0.5 C#CCC(O)C(=O)O CS-0237172 [1,1,0,0,0,0|1,0,1]=4 21 B7R0.5 C#CC[C@@H](N)C(=O)O CS-0158576 [1,1,0,0,0,0|1,0,1]=4 22 B7R0.5 N[C@H](CCS)C(=O)O CS-M1780 [1,1,0,0,0,0|0,1,1]=4 23 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CS-0031488 [0,1,0,0,1,0|1,0,1]=4 24 B9R0.7 NC(CCC(=O)O)C(=O)O CS-W022635 [0,1,0,0,0,1|0,0,0]=2 25 B9R0.23 COC(=O)[C@@H](C)CC(=O)O CS-0376341 [0,2,0,0,0,0|0,0,0]=2 26 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CS-0059140 [0,2,0,0,0,0|0,0,0]=2 27 B9R0.48 CCCC(=O)NCC(=O)O CS-0059624 [0,2,0,0,0,0|2,0,0]=4 28 B9R0.64 COC(C)(C)CCC(=O)O CS-0867646 [0,2,0,0,0,0|1,0,1]=4 29 B9R0.11 CC(N)(CC(=O)O)C(=O)O CS-0201902 [0,2,0,0,0,0|0,0,0]=2 30 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O CS-W016348 [0,2,0,0,0,0|1,0,1]=4 31 B7R1.2 O=C1C=C(I)CC1 CS-0611577 [1,0,0,1,0,0|2,0,0]=4 32 B7R1.2 O=C1C=C(O)CO1 CS-W013716 [1,0,0,1,0,0|2,0,0]=4 33 B7R1.12 C[C@H]1C[C@H]1C(=O)O CS-0368383 [1,0,0,1,0,0|1,0,1]=4 34 B7R1.12 [C@@H]1(C(=O)O)C[C@@H]1C CS-0049741 [1,0,0,1,0,0|1,0,1]=4 35 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)O1 CS-0035602 [0,0,0,1,0,1|1,0,1]=4 36 B9R1.35 O=C(O)[C@H]1CC[C@H](O)C1 CS-0340668 [0,0,0,1,0,1|1,0,1]=4 37 B9R1.35 O=C1C=C(C(=O)O)CC1 CS-0188012 [0,0,0,1,0,1|1,0,0]=3 38 B9R1.35 O=C1COC(C(=O)O)C1 CS-0627494 [0,0,0,1,0,1|1,0,0]=3 39 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O CS-0047742 [0,0,0,1,0,1|0,0,0]=2 40 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O CS-0099343 [0,0,0,1,0,1|0,0,0]=2 41 B9R1.164 O=C(O)C1CS(=O)(=O)C1 CS-W023028 [0,1,0,1,0,0|1,0,1]=4 42 B5R0.5 CC(O)C(=O)O CS-0021601 [0,0,0,0,2,0|1,0,1]=4 43 B5R0.5 O=C(O)C(=O)O CS-0015711 [0,0,0,0,2,0|0,0,0]=2