0 B7R0.3 C=CCCC(N)CO CS-0091350 [1,0,0,0,0,0|2,0,1]=4 1 B7R0.4 C=CCOCC(=O)O CS-0112199 [1,0,0,0,0,0|1,0,0]=2 2 B7R0.4 NCCCCC(N)=O CS-0112084 [1,0,0,0,0,0|2,0,1]=4 3 B7R0.6 C[C@@H](N)CCC(=O)O CS-0093985 [1,0,0,0,0,0|0,0,1]=2 4 B7R0.6 O=C(O)COC(F)F CS-0102315 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 CS-0089834 [0,0,0,1,0,0|2,0,1]=4 6 B9R1.35 NC1CCC(C(=O)O)C1 CS-0051536 [0,0,0,1,0,0|0,0,2]=3 7 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 CS-0058718 [0,0,0,1,0,0|0,0,2]=3 8 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 CS-0053615 [0,0,0,1,0,0|0,0,2]=3 9 B9R1.35 O=C(O)C1CCC(O)C1 CS-0112577 [0,0,0,1,0,0|1,0,2]=4 10 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 CS-0058696 [0,0,0,1,0,0|2,0,1]=4 11 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 CS-0053418 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 CS-0053410 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 CS-0058726 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 CS-0053409 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 CS-0053465 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 CS-0001913 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.69 CC1CCC(=O)NC1=O CS-0061420 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.84 O=C(O)CCC1CCC1 CS-0060765 [0,0,0,1,0,0|1,0,2]=4 19 B9R1.95 COC1CC(C(=O)O)C1 CS-0051288 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 CS-0049699 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 CS-0047777 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.95 N#CC1CC(C(=O)O)C1 CS-0089280 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.95 NCC1CC(C(=O)O)C1 CS-0045468 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.95 NC[C@H]1C[C@@H](C(=O)O)C1 CS-0111671 [0,0,0,1,0,0|2,0,1]=4 25 B7R0.2 CN[C@H](C)CC(=O)O CS-0021843 [0,0,0,0,1,0|2,0,1]=4 26 B6R0.1 NC(CO)CCO CS-0091333 [2,0,0,0,0,0|1,0,1]=4 27 B6R0.1 N[C@@H](CO)CCO CS-0091341 [2,0,0,0,0,0|1,0,1]=4 28 B6R0.1 N[C@H](CO)CCO CS-0091335 [2,0,0,0,0,0|1,0,1]=4 29 B6R0.4 CC(=O)CCCBr CS-0103669 [2,0,0,0,0,0|2,0,0]=4 30 B6R0.4 CNCCC(=O)O CS-0112815 [2,0,0,0,0,0|1,0,1]=4 31 B8R0.8 C=CCC[C@@H](N)C(=O)O CS-0100555 [1,1,0,0,0,0|2,0,0]=4 32 B8R0.28 CC(C)CCCC(=O)O CS-0096310 [1,1,0,0,0,0|0,0,2]=4 33 B8R0.23 CC(C)[C@@H](N)CC(=O)O CS-0038681 [1,1,0,0,0,0|1,0,1]=4 34 B8R0.23 CC(C)[C@H](N)CC(=O)O CS-0038142 [1,1,0,0,0,0|1,0,1]=4 35 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O CS-0053414 [0,2,0,0,0,0|1,0,0]=3 36 B8R1.1 CCC1CCC(=O)N1 CS-0046651 [1,0,0,1,0,0|0,0,2]=4 37 B8R1.1 N#CC1CCC(=O)N1 CS-0046588 [1,0,0,1,0,0|1,0,1]=4 38 B8R1.1 O=CC1CCC(=O)N1 CS-0046586 [1,0,0,1,0,0|1,0,0]=3 39 B8R1.3 CC1C=CC(=O)CC1 CS-0051212 [1,0,0,1,0,0|1,0,0]=3 40 B8R1.3 CN1C=CC(=O)CC1 CS-0067384 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.3 NC1CCC(=O)CC1 CS-0106163 [1,0,0,1,0,0|0,0,2]=4 42 B8R1.3 NC1CCC(=O)NC1 CS-0050676 [1,0,0,1,0,0|1,0,1]=4 43 B8R1.3 N[C@@H]1CCC(=O)NC1 CS-0054409 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.4 O=C1COCC(=O)O1 CS-0108764 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.6 C=COC1CC(=O)N1 CS-0046572 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.7 O=C(O)[C@@H]1CCNC1 CS-D1771 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.7 O=C(O)[C@@H]1CCON1 CS-0097126 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.7 O=C(O)[C@H]1CCCO1 CS-W005223 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.7 O=C(O)[C@H]1CCOC1 CS-0053249 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.7 [C@@H]1(C(=O)O)CCOC1 CS-W006196 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.31 CN1CC[C@@H]1C(=O)O CS-0052024 [1,0,0,1,0,0|1,0,1]=4 52 B8R1.31 CN1CC[C@H]1C(=O)O CS-0052023 [1,0,0,1,0,0|1,0,1]=4 53 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O CS-0047827 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.31 N[C@H]1CC[C@H]1C(=O)O CS-0049744 [1,0,0,1,0,0|1,0,1]=4 55 B8R1.31 O=C(O)C1CCC1O CS-0090873 [1,0,0,1,0,0|1,0,1]=4 56 B8R1.31 O=C(O)C1CNC1=O CS-0046609 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.43 C#CC1CC1C(=O)O CS-0068304 [1,0,0,1,0,0|0,0,2]=4 58 B8R1.43 N#CC1CC1C(=O)O CS-0054093 [1,0,0,1,0,0|1,0,1]=4 59 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O CS-0047826 [1,0,0,1,0,0|1,0,1]=4 60 B8R1.43 O=C(O)C1CC1CO CS-0098963 [1,0,0,1,0,0|1,0,1]=4 61 B8R1.23 C=C1CC(C(=O)O)C1 CS-M1233 [1,0,0,1,0,0|1,0,1]=4 62 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 CS-0045557 [1,0,0,1,0,0|1,0,1]=4 63 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 CS-0045556 [1,0,0,1,0,0|1,0,1]=4 64 B8R1.23 NC1CC(C(=O)O)C1 CS-0051537 [1,0,0,1,0,0|0,0,1]=3 65 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 CS-W022614 [1,0,0,1,0,0|0,0,1]=3 66 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 CS-0047792 [1,0,0,1,0,0|0,0,1]=3 67 B8R1.23 O=C(O)C1CC(F)C1 CS-0036337 [1,0,0,1,0,0|1,0,1]=4 68 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 CS-0049707 [1,0,0,1,0,0|1,0,1]=4 69 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 CS-0047788 [1,0,0,1,0,0|1,0,1]=4 70 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 CS-0047785 [1,0,0,1,0,0|1,0,1]=4 71 B8R1.23 O=C1C[C@H](C(=O)O)N1 CS-0053483 [1,0,0,1,0,0|1,0,1]=4 72 B8R1.51 CC1(C)CCC(=O)O1 CS-0061120 [1,0,0,1,0,0|1,0,1]=4 73 B8R1.77 O=C(O)C1CC1(F)Cl CS-0054273 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.77 O=C(O)[C@@H]1CC1(F)F CS-0053586 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.77 O=C(O)[C@H]1CC1(F)F CS-0053638 [1,0,0,1,0,0|2,0,0]=4 76 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](O)C1 CS-0053603 [0,0,0,1,0,1|2,0,0]=4 77 B10R1.58 O=C1N[C@H](C(=O)O)C[C@@H]1F CS-0049676 [0,1,0,1,0,0|2,0,0]=4 78 B10R1.83 CC1(C)[C@@H](N)C[C@H]1C(=O)O CS-0049717 [0,1,0,1,0,0|0,0,2]=4 79 B10R1.349 O=C(O)C1CC(C(=O)O)C1 CS-0054338 [0,1,0,1,0,0|2,0,0]=4 80 B10R1.349 O=C(O)[C@H]1C[C@@H](C(=O)O)C1 CS-0106612 [0,1,0,1,0,0|2,0,0]=4 81 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 CS-0049713 [0,1,0,1,0,0|0,0,2]=4 82 B10R1.66 O=C(O)CCC1=CN=CN1 CS-0038274 [0,1,0,1,0,0|0,0,1]=3 83 B10R1.82 O=C(O)CCC1CC(=O)C1 CS-0051756 [0,1,0,1,0,0|1,0,1]=4 84 B6R0.3 C=C[C@H](N)C(=O)O CS-D0476 [0,0,0,0,2,0|0,0,0]=2