0 B7R0.6 CC(=O)NCC(C)O CS-0223956 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.6 CC(C)CC[N+](=O)[O-] CS-0252338 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.6 C[C@H](N)CCC(=O)O CS-0753666 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.6 O=C(O)\C=C/C(=O)O CS-0015079 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.4 O=C(O)CCCF CS-0491783 [1,0,0,0,0,0|1,0,2]=4 5 B6R0.4 O=C(O)\C=C\CCl CS-0368704 [1,0,0,0,0,0|1,0,2]=4 6 B8R0.9 NC[C@@H](N)CCC(=O)O CS-0539323 [0,1,0,0,0,0|1,0,2]=4 7 B8R0.9 O=C(O)CNC(=O)CBr CS-0147668 [0,1,0,0,0,0|2,0,0]=3 8 B8R0.23 CC(C)C[C@H](Br)C(=O)O CS-0134712 [0,1,0,0,0,0|0,0,2]=3 9 B8R0.23 C[C@@H](CC(=O)O)C(=O)O CS-0035659 [0,1,0,0,0,0|2,0,1]=4 10 B8R0.23 NC(=O)C[C@H](N)C(=O)O CS-W018159 [0,1,0,0,0,0|2,0,1]=4 11 B8R0.29 CC(C)(C)CCC(=O)O CS-0440906 [0,1,0,0,0,0|0,0,2]=3 12 B8R0.29 CC(C)(F)CCC(=O)O CS-0867883 [0,1,0,0,0,0|0,0,2]=3 13 B8R1.77 CC1(C)C[C@@H]1C(=O)O CS-W019469 [0,0,0,1,0,0|0,0,2]=3 14 B6R0.2 CC(=O)\C=C(\C)N CS-0095595 [0,0,0,0,1,0|2,0,0]=3 15 B6R0.2 CC(C)C[N+](=O)[O-] CS-0252339 [0,0,0,0,1,0|1,0,2]=4 16 B6R0.2 O=C(O)CC(F)F CS-0054587 [0,0,0,0,1,0|2,0,1]=4 17 B8R0.28 CN(C)C\C=C/C(=O)O CS-0164231 [0,0,0,0,0,1|1,0,1]=3 18 B5R0.1 CN(C)CC=O CS-0114075 [2,0,0,0,0,0|1,0,0]=3 19 B7R0.2 COC(=O)CC(C)=O CS-0017265 [1,1,0,0,0,0|2,0,0]=4 20 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CS-0031488 [0,1,0,0,1,0|1,0,1]=4 21 B9R0.7 CC(C)CC[C@H](N)C(=O)O CS-0154246 [0,1,0,0,0,1|0,0,2]=4 22 B9R0.56 CC(C)(C)OCCC(=O)O CS-0449701 [0,1,0,0,0,1|0,0,2]=4 23 B9R0.23 COC(=O)[C@@H](C)CC(=O)O CS-0376341 [0,2,0,0,0,0|1,0,1]=4 24 B9R0.23 COC(=O)[C@H](O)CC(C)C CS-0158522 [0,2,0,0,0,0|0,0,2]=4 25 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CS-0059140 [0,2,0,0,0,0|1,0,1]=4 26 B9R0.48 CCCC(=O)NCC(=O)O CS-0059624 [0,2,0,0,0,0|2,0,0]=4 27 B9R0.48 CCC[C@@H](C)CCC(=O)O CS-0979123 [0,2,0,0,0,0|0,0,2]=4 28 B9R0.64 COC(C)(C)CCC(=O)O CS-0867646 [0,2,0,0,0,0|0,0,2]=4 29 B9R0.11 CN(C)S(=O)(=O)CC(=O)O CS-0084150 [0,2,0,0,0,0|2,0,0]=4 30 B9R0.57 CC(OC(C)(C)C)C(=O)O CS-0234874 [0,2,0,0,0,0|1,0,1]=4 31 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O CS-0199586 [0,2,0,0,0,0|0,0,2]=4 32 B7R1.2 C[C@@H]1CC(=O)CN1 CS-0656263 [1,0,0,1,0,0|1,0,1]=4 33 B7R1.3 O=C1C=CCCO1 CS-0037765 [1,0,0,1,0,0|0,0,2]=4 34 B7R1.12 C[C@H]1C[C@H]1C(=O)O CS-0368383 [1,0,0,1,0,0|0,0,2]=4 35 B7R1.12 [C@@H]1(C(=O)O)C[C@@H]1C CS-0049741 [1,0,0,1,0,0|0,0,2]=4 36 B9R1.35 CC1=CC(C(=O)O)=CO1 CS-0372581 [0,0,0,1,0,1|0,0,2]=4 37 B9R1.35 CC1CCC(C(=O)O)C1 CS-0217541 [0,0,0,1,0,1|0,0,2]=4 38 B9R1.35 CN1CCC(C(=O)O)C1 CS-0058763 [0,0,0,1,0,1|1,0,1]=4 39 B9R1.35 O=C(O)C1CC(Br)=NO1 CS-0335326 [0,0,0,1,0,1|2,0,0]=4 40 B9R1.35 O=C1COC(C(=O)O)C1 CS-0627494 [0,0,0,1,0,1|1,0,1]=4 41 B9R1.84 O=C(O)CCN1CCC1 CS-W020473 [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 C[C@@H](F)C(=O)O CS-0435455 [0,0,0,0,2,0|1,0,1]=4 44 B5R0.5 C[C@H](F)C(=O)O CS-0436042 [0,0,0,0,2,0|1,0,1]=4 45 B5R0.5 O=C(O)C(=O)O CS-0015711 [0,0,0,0,2,0|2,0,0]=4