0 B7R0.6 C(NC(C)=O)C(=O)O A1250 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.6 CC(=O)CNC(C)=O O12675 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.6 C[C@H](O)CC[C@H](C)O H5146 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.6 NC(=O)N=NC(N)=O A16684 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.4 C=CCCC(=N)N P16910 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.4 NCCCC(=O)O A19243 [1,0,0,0,0,0|1,0,1]=3 6 B6R0.4 O=C(Cl)CCCCl C18875 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.4 O=C([O-])CNCO S17161 [1,0,0,0,0,0|1,0,2]=4 8 B8R0.9 NCC(=O)CCC(=O)O A4094 [0,1,0,0,0,0|1,0,0]=2 9 B8R0.9 NCC(=O)CCC(=O)O A4094 [0,1,0,0,0,0|1,0,0]=2 10 B8R0.9 NCC(=O)NCC(=O)O G0812 [0,1,0,0,0,0|2,0,0]=3 11 B8R0.23 C=C(C)C(N)CC(=O)O A14655 [0,1,0,0,0,0|2,0,0]=3 12 B8R0.23 C=C(CC(=O)O)C(=O)O I18874 [0,1,0,0,0,0|0,0,1]=2 13 B8R0.23 CC(=O)C(N)CC(=O)O A14659 [0,1,0,0,0,0|1,0,0]=2 14 B8R0.23 CC(=O)O[C@@H](C)C(=O)O A18048 [0,1,0,0,0,0|2,0,0]=3 15 B8R0.23 CC(C)C[C@@H](N)C(=O)O L2808 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.23 CC(C)C[C@@H](O)C(=O)O H12699 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.23 CC(C)C[C@H](N)C(=O)O L0932 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.23 CC(C)C[C@H](N)C(=O)O L0932 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.23 NC(=O)C[C@H](N)C(=O)O A6288 [0,1,0,0,0,0|1,0,0]=2 20 B8R0.23 N[C@H](CC(=O)O)C(=O)O A6088 [0,1,0,0,0,0|0,0,0]=1 21 B8R0.23 O=C(O)C[C@@H](O)C(=O)O M11009 [0,1,0,0,0,0|0,0,0]=1 22 B8R0.23 O=C(O)C[C@H](Br)C(=O)O B8880 [0,1,0,0,0,0|0,0,0]=1 23 B8R0.23 O=C(O)C[C@H](Br)C(=O)O B8880 [0,1,0,0,0,0|0,0,0]=1 24 B8R1.3 O=C1CCC(O)CC1 H15821 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.3 O=C1CC[C@H](O)CN1 H14910 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.23 O=C1CC(C(=O)O)C1 O11072 [0,0,0,1,0,0|1,0,0]=2 27 B8R1.77 CC1(C)CC1C(=O)O D2248 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.77 CC1(C)C[C@@H]1C(=O)O T7829 [0,0,0,1,0,0|2,0,1]=4 29 B6R0.2 C(C(=O)O)N(C)C D18801 [0,0,0,0,1,0|3,0,0]=4 30 B6R0.2 CC(C)=CC(=O)O D18784 [0,0,0,0,1,0|2,0,1]=4 31 B8R0.28 C=C(Cl)CCCC(=O)O C15670 [0,0,0,0,0,1|2,0,0]=3 32 B8R0.28 O=C(O)CCCC(=O)O G18793 [0,0,0,0,0,1|0,0,0]=1 33 B5R0.1 CCCC(=O)O B18853 [2,0,0,0,0,0|0,0,1]=3 34 B5R0.1 CNCC(=O)O S18803 [2,0,0,0,0,0|1,0,1]=4 35 B7R0.2 CCC(N)CC(=O)O A14449 [1,1,0,0,0,0|1,0,1]=4 36 B7R0.2 CCC(N)CC(=O)O A18198 [1,1,0,0,0,0|1,0,1]=4 37 B7R0.2 CC[C@@H](N)CC(=O)O A18229 [1,1,0,0,0,0|1,0,1]=4 38 B7R0.2 CC[C@H](C)CC(=O)O M13871 [1,1,0,0,0,0|1,0,1]=4 39 B7R0.2 NC[C@@H](O)CC(=O)O A2622 [1,1,0,0,0,0|1,0,1]=4 40 B7R0.2 N[C@H](CO)CC(=O)O A12916 [1,1,0,0,0,0|0,0,1]=3 41 B7R0.2 [NH3+][C@@H](CO)CC(=O)O H13159 [1,1,0,0,0,0|0,0,1]=3 42 B7R0.2 [NH3+][C@@H](CO)CC(=O)O H13159 [1,1,0,0,0,0|0,0,1]=3 43 B7R0.4 C=CCNCC(=O)O A18405 [1,1,0,0,0,0|1,0,0]=3 44 B7R0.5 C=CC[C@H](N)C(=O)O A15402 [1,1,0,0,0,0|1,0,0]=3 45 B7R0.5 CCCC(N)C(=O)O N4933 [1,1,0,0,0,0|1,0,1]=4 46 B7R0.5 CCC[C@@H](N)C(=O)O N11127 [1,1,0,0,0,0|1,0,1]=4 47 B7R0.5 CCC[C@H](N)C(=O)O N11126 [1,1,0,0,0,0|1,0,1]=4 48 B7R0.5 CCC[C@H](N)C(=O)O N11126 [1,1,0,0,0,0|1,0,1]=4 49 B7R0.5 NCCC(N)C(=O)O D14772 [1,1,0,0,0,0|1,0,1]=4 50 B7R0.5 NCCC(O)C(=O)O H6206 [1,1,0,0,0,0|1,0,1]=4 51 B7R0.5 NCCC(O)C(=O)O H6206 [1,1,0,0,0,0|1,0,1]=4 52 B7R0.5 NCC[C@H](O)C(=O)O A7207 [1,1,0,0,0,0|1,0,1]=4 53 B7R0.5 N[C@@H](CCO)C(=O)O H5147 [1,1,0,0,0,0|0,0,1]=3 54 B7R0.5 N[C@H](CCO)C(=O)O A6105 [1,1,0,0,0,0|0,0,1]=3 55 B7R0.5 N[C@H](CCO)C(=O)O A6105 [1,1,0,0,0,0|0,0,1]=3 56 B7R0.5 [NH3+]C(CCBr)C(=O)O A12763 [1,1,0,0,0,0|1,0,1]=4 57 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O A0398 [0,1,0,0,1,0|1,0,1]=4 58 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O T0933 [0,1,0,0,1,0|1,0,1]=4 59 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O T0397 [0,1,0,0,1,0|1,0,1]=4 60 B9R0.7 NC(=O)CC[C@H](N)C(=O)O G1257 [0,1,0,0,0,1|1,0,0]=3 61 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O G3122 [0,1,0,0,0,1|0,0,0]=2 62 B9R0.7 N[C@H](CCC(=O)O)C(=O)O G6090 [0,1,0,0,0,1|0,0,0]=2 63 B9R0.56 O=C(O)CNCP(=O)(O)O G0350 [0,1,0,0,0,1|1,0,0]=3 64 B9R0.23 COC(=O)[C@@H](N)CC(=O)O A6325 [0,2,0,0,0,0|0,0,0]=2 65 B9R0.42 COC(=O)C[C@H](N)C(=O)O A8339 [0,2,0,0,0,0|0,0,0]=2 66 B9R0.48 CCOC(=O)\C=C\C(=O)O F0286 [0,2,0,0,0,0|0,0,2]=4 67 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O A1273 [0,2,0,0,0,0|2,0,0]=4 68 B9R0.57 NC(CS(=O)(=O)O)C(=O)O C15048 [0,2,0,0,0,0|1,0,0]=3 69 B9R0.79 O=C(O)C(O)C(O)C(=O)O D7389 [0,2,0,0,0,0|0,0,0]=2 70 B9R0.79 O=C(O)C(S)C(S)C(=O)O D1120 [0,2,0,0,0,0|0,0,0]=2 71 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O M5642 [0,2,0,0,0,0|0,0,0]=2 72 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O D5955 [0,2,0,0,0,0|0,0,0]=2 73 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O M11272 [0,2,0,0,0,0|0,0,0]=2 74 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O D6020 [0,2,0,0,0,0|0,0,0]=2 75 B7R1.2 O=C1CCC(=O)C1 C13983 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.2 O=C1CNC(=O)O1 O13300 [1,0,0,1,0,0|1,0,0]=3 77 B7R1.2 O=C1CSC(=O)N1 T0472 [1,0,0,1,0,0|2,0,0]=4 78 B7R1.18 O=C(O)C1CCN1 A19377 [1,0,0,1,0,0|1,0,1]=4 79 B7R1.18 O=C(O)C1CNC1 A18761 [1,0,0,1,0,0|2,0,0]=4 80 B7R1.18 O=C(O)C1CNC1 A3585 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.18 O=C(O)C1CNC1 A3585 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.18 O=C(O)[C@@H]1CCN1 A17680 [1,0,0,1,0,0|1,0,1]=4 83 B7R1.18 O=C(O)[C@@H]1CCN1 A5102 [1,0,0,1,0,0|1,0,1]=4 84 B7R1.18 O=C(O)[C@@H]1CCN1 A5102 [1,0,0,1,0,0|1,0,1]=4 85 B7R1.18 O=C(O)[C@H]1CCN1 A7252 [1,0,0,1,0,0|1,0,1]=4 86 B7R1.20 O=C(O)CC1CC1 C2235 [1,0,0,1,0,0|1,0,1]=4 87 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 H2190 [0,0,0,1,0,1|1,0,1]=4 88 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 H2190 [0,0,0,1,0,1|1,0,1]=4 89 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 H12478 [0,0,0,1,0,1|1,0,1]=4 90 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 H12478 [0,0,0,1,0,1|1,0,1]=4 91 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 H7112 [0,0,0,1,0,1|1,0,1]=4 92 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 A2497 [0,0,0,1,0,1|1,0,1]=4 93 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 A2497 [0,0,0,1,0,1|1,0,1]=4 94 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 H7114 [0,0,0,1,0,1|1,0,1]=4 95 B9R1.35 O=C1CCC(C(=O)O)N1 P19419 [0,0,0,1,0,1|1,0,0]=3 96 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 P2914 [0,0,0,1,0,1|1,0,0]=3 97 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 P2914 [0,0,0,1,0,1|1,0,0]=3 98 B9R1.35 O=C1N[C@H](C(=O)O)CS1 O5524 [0,0,0,1,0,1|1,0,0]=3