0 B8R0.1 CCOC(=O)\C=C\CBr E1566 [1,0,0,0,0,0|1,0,2]=4 1 B8R0.3 CCOC(=O)C(C)CN A14614 [1,0,0,0,0,0|1,0,0]=2 2 B8R0.3 CCOC(=O)C(N)C#N E14057 [1,0,0,0,0,0|2,0,1]=4 3 B8R0.3 CCOC(=O)[C@@H](N)CS C8432 [1,0,0,0,0,0|2,0,0]=3 4 B8R0.3 COC(=O)C(Br)CCBr M18995 [1,0,0,0,0,0|2,0,0]=3 5 B8R0.3 COC(=O)C(Br)CCBr M18995 [1,0,0,0,0,0|2,0,0]=3 6 B8R0.3 COC(=O)C(N)CCBr M13176 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.3 COC(=O)[C@@H](N)CCBr M13187 [1,0,0,0,0,0|2,0,0]=3 8 B10R0.19 CCOC(=O)[C@@H](N)CCSC M5409 [0,1,0,0,0,0|1,0,0]=2 9 B10R0.19 CCOC(=O)[C@H](N)CCSC M6334 [0,1,0,0,0,0|1,0,0]=2 10 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C L5533 [0,1,0,0,0,0|1,0,0]=2 11 B10R1.401 CCOC(=O)C1(N)CCC1 A15435 [0,0,0,1,0,0|1,0,0]=2 12 B10R1.401 CCOC(=O)C1(N)CCC1 A18524 [0,0,0,1,0,0|1,0,0]=2 13 B10R0.2 CCOC(=O)C[C@H](O)CC#N E2621 [0,0,0,0,0,1|2,0,1]=4 14 B7R0.7 [C-]#[N+]CC(=O)OCC E14341 [2,0,0,0,0,0|1,0,1]=4 15 B7R0.5 CCCC(N)C(=O)O N4933 [2,0,0,0,0,0|1,0,0]=3 16 B7R0.5 CCC[C@@H](N)C(=O)O N11127 [2,0,0,0,0,0|1,0,0]=3 17 B7R0.5 CCC[C@H](N)C(=O)O N11126 [2,0,0,0,0,0|1,0,0]=3 18 B7R0.5 CCC[C@H](N)C(=O)O N11126 [2,0,0,0,0,0|1,0,0]=3 19 B7R0.5 CCOC(=O)C(F)Br E1920 [2,0,0,0,0,0|2,0,0]=4 20 B7R0.5 CCOC(=O)C(F)F E5215 [2,0,0,0,0,0|2,0,0]=4 21 B7R0.5 NCCC(N)C(=O)O D14772 [2,0,0,0,0,0|2,0,0]=4 22 B7R0.5 NCCC(O)C(=O)O H6206 [2,0,0,0,0,0|2,0,0]=4 23 B7R0.5 NCCC(O)C(=O)O H6206 [2,0,0,0,0,0|2,0,0]=4 24 B7R0.5 NCC[C@H](O)C(=O)O A7207 [2,0,0,0,0,0|2,0,0]=4 25 B7R0.5 N[C@@H](CCO)C(=O)O H5147 [2,0,0,0,0,0|2,0,0]=4 26 B7R0.5 N[C@H](CCO)C(=O)O A6105 [2,0,0,0,0,0|2,0,0]=4 27 B7R0.5 N[C@H](CCO)C(=O)O A6105 [2,0,0,0,0,0|2,0,0]=4 28 B7R0.5 [NH3+]C(CCBr)C(=O)O A12763 [2,0,0,0,0,0|2,0,0]=4 29 B7R0.10 COC(=O)[C@@H](N)CS C7887 [2,0,0,0,0,0|2,0,0]=4 30 B9R0.18 CCOCC(N)COCC E17053 [1,1,0,0,0,0|1,0,1]=4 31 B9R0.34 CCOC(=O)C[C@@H](O)CBr B7205 [1,1,0,0,0,0|1,0,0]=3 32 B9R0.34 CCOC(=O)C[C@@H](O)CCl E6788 [1,1,0,0,0,0|1,0,0]=3 33 B9R0.34 CCOC(=O)C[C@H](O)CBr B7204 [1,1,0,0,0,0|1,0,0]=3 34 B9R0.34 CCOC(=O)C[C@H](O)CCl C6789 [1,1,0,0,0,0|1,0,0]=3 35 B9R0.6 CCOC(=O)[C@@H](N)C(C)C V8260 [1,1,0,0,0,0|1,0,0]=3 36 B9R0.23 COC(=O)[C@@H](N)CC(C)C L5534 [1,1,0,0,0,0|1,0,0]=3 37 B9R0.23 COC(=O)[C@H](N)CC(C)C H8262 [1,1,0,0,0,0|1,0,0]=3 38 B11R0.43 CCOC(=O)C(=O)CC(=O)CC E1416 [0,2,0,0,0,0|1,0,1]=4 39 B11R0.186 CCOC(=O)[C@@H](N)CC(C)(C)F F19300 [0,2,0,0,0,0|1,0,0]=3 40 B11R0.186 CN(CCN)C(=O)OC(C)(C)C A8000 [0,2,0,0,0,0|2,0,0]=4 41 B9R1.27 CCC1C(=O)NCC1C E17699 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.73 CCOC(=O)C1CNC1 A19137 [1,0,0,1,0,0|1,0,0]=3 43 B9R1.5 N[C@H]1CCCCNC1=O A0101 [1,0,0,1,0,0|2,0,0]=4 44 B9R1.11 COC(=O)C1CC=CC1 M13309 [1,0,0,1,0,0|0,0,2]=4 45 B9R1.11 COC(=O)[C@@H]1CCCN1 P7690 [1,0,0,1,0,0|1,0,0]=3 46 B9R1.11 COC(=O)[C@H]1CCCN1 P7691 [1,0,0,1,0,0|1,0,0]=3 47 B9R1.74 CCOC(=O)C1(N)CC1 A18991 [1,0,0,1,0,0|1,0,0]=3 48 B9R1.88 COC(=O)[C@H]1O[C@@H]1CO M6398 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.101 COC(=O)[C@@H](N)C1CC1 A15419 [1,0,0,1,0,0|1,0,0]=3 50 B9R1.186 COC(=O)C1(N)CCC1 A12907 [1,0,0,1,0,0|1,0,0]=3 51 B11R1.199 CCOC(=O)C1CCCC1=O E2532 [0,0,0,1,0,1|1,0,1]=4 52 B11R1.334 CCOC(=O)CC(=O)C1CC1 E19024 [0,0,0,1,0,1|1,0,1]=4 53 B11R1.334 CCOC(=O)CC(=O)C1CC1 E19024 [0,0,0,1,0,1|1,0,1]=4 54 B11R1.334 CCOC(=O)CC(N)C1CC1 A14609 [0,0,0,1,0,1|1,0,0]=3 55 B11R1.15 CCOC(=O)C1CC(C)CN1 E13556 [0,1,0,1,0,0|0,0,0]=2 56 B11R1.15 CCOC(=O)C1CCC(=O)C1 O15906 [0,1,0,1,0,0|0,0,1]=3 57 B11R1.15 CCOC(=O)N1CCC(=O)C1 E17756 [0,1,0,1,0,0|1,0,1]=4 58 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 P16749 [0,1,0,1,0,0|1,0,1]=4 59 B11R1.15 [C@@H]1(C(=O)OCC)COC(C)=N1 E1475 [0,1,0,1,0,0|1,0,1]=4 60 B11R1.16 CCOC(=O)C1CCCCN1 E0393 [0,1,0,1,0,0|0,0,0]=2 61 B11R1.16 CCOC(=O)C1CCCNC1 E4133 [0,1,0,1,0,0|0,0,0]=2 62 B11R1.16 CCOC(=O)C1CCNCC1 A3950 [0,1,0,1,0,0|0,0,0]=2 63 B11R1.16 CCOC(=O)C1SCCCS1 E8704 [0,1,0,1,0,0|1,0,0]=3 64 B11R1.16 CCOC(=O)N1CCNCC1 E7464 [0,1,0,1,0,0|1,0,0]=3 65 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 E11622 [0,1,0,1,0,0|0,0,0]=2 66 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 E17989 [0,1,0,1,0,0|0,0,0]=2 67 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 E4639 [0,1,0,1,0,0|0,0,0]=2 68 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E11623 [0,1,0,1,0,0|0,0,0]=2 69 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E11623 [0,1,0,1,0,0|0,0,0]=2 70 B11R1.16 CCOC(=O)[C@H]1CCCNC1 S6053 [0,1,0,1,0,0|0,0,0]=2 71 B11R1.381 CCN1CCCC[C@H](N)C1=O A7423 [0,1,0,1,0,0|2,0,0]=4 72 B11R1.819 CCOC(=O)C1(N)CCCC1 A15465 [0,1,0,1,0,0|0,0,0]=2 73 B11R1.605 COCC1C(=O)CCCC1C M13161 [0,1,0,1,0,0|2,0,0]=4