0 B10R1.194 CC1C(=O)OCC1C(=O)O 2883AJ [0,0,0,0,0,0|1,0,0]=1 1 B9R1.35 CC(=O)N1CCC(=O)C1 Z2278 [1,0,0,0,0,0|2,0,0]=3 2 B9R1.35 CN1CC[C@H](C(=O)O)C1 6382AC [1,0,0,0,0,0|2,0,0]=3 3 B9R1.35 NC(=O)C1CNC(=O)C1 W3157 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 V0040 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.35 NC1CNC(C(=O)O)C1 Y7723 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 Y6730 [1,0,0,0,0,0|1,0,1]=3 7 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 W4980 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.35 O=C(O)C1CCC(O)C1 0331AA [1,0,0,0,0,0|0,0,2]=3 9 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 Z5831 [1,0,0,0,0,0|1,0,2]=4 10 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 U345 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.35 O=C1C=C(C(=O)O)CC1 Y5171 [1,0,0,0,0,0|0,0,2]=3 12 B9R1.35 O=C1CC(C(=O)O)=NN1 8551AE [1,0,0,0,0,0|2,0,1]=4 13 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 Y8727 [1,0,0,0,0,0|0,0,0]=1 14 B9R1.35 O=C1CC[C@H](C(=O)O)C1 V2781 [1,0,0,0,0,0|0,0,0]=1 15 B9R1.35 O=C1CNC(C(=O)O)C1 0294AB [1,0,0,0,0,0|1,0,0]=2 16 B9R1.35 O=C1NCC(C(=O)O)N1 5596AJ [1,0,0,0,0,0|2,0,0]=3 17 B9R1.41 CN1CSCC1C(=O)O 6486AE [1,0,0,0,0,0|2,0,1]=4 18 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O 8555AH [1,0,0,0,0,0|2,0,1]=4 19 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O 8692AH [1,0,0,0,0,0|2,0,1]=4 20 B11R1.865 COC(=O)C1CCC(=O)N1C 6434AD [0,1,0,0,0,0|1,0,0]=2 21 B11R1.865 COC(=O)[C@@H]1CCC(=O)N1C 5850AB [0,1,0,0,0,0|1,0,0]=2 22 B9R0.1 COC(=O)CCC[N+](=O)[O-] Z9740 [0,0,1,0,0,0|2,0,1]=4 23 B9R0.1 COC(=O)CCNC(C)=O 3347AB [0,0,1,0,0,0|3,0,0]=4 24 B9R0.13 CCCC[C@H](NC)C(=O)O 7564AH [0,0,1,0,0,0|2,0,1]=4 25 B9R0.23 CCC(=O)N(C)CC(=O)O 3841AE [0,0,1,0,0,0|1,0,0]=2 26 B9R0.23 CCC(C)C(N)CC(=O)O 2728AE [0,0,1,0,0,0|2,0,1]=4 27 B9R0.23 CN(CC(=O)O)C(=O)CCl 7465AE [0,0,1,0,0,0|2,0,0]=3 28 B9R0.23 CNC(=O)[C@H](C)NC(C)=O 6073AH [0,0,1,0,0,0|3,0,0]=4 29 B9R0.23 COC(=O)[C@H](N)CC(=O)O 5515AA [0,0,1,0,0,0|2,0,0]=3 30 B9R0.79 CC(C(=O)O)C(C)C(=O)O X7355 [0,0,1,0,0,0|1,0,0]=2 31 B9R0.79 CC(C(=O)O)C(N)C(=O)O 0243AC [0,0,1,0,0,0|2,0,0]=3 32 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O X7354 [0,0,1,0,0,0|1,0,0]=2 33 B9R0.79 O=C(O)C(O)[C@H](O)C(=O)O I074 [0,0,1,0,0,0|3,0,0]=4 34 B9R0.79 O=C(O)[C@@H](O)[C@@H](O)C(=O)O 7228AF [0,0,1,0,0,0|3,0,0]=4 35 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O 8060AL [0,0,1,0,0,0|3,0,0]=4 36 B11R1.21 CN1N=C(C(=O)O)CCC1=O 0589AE [0,0,0,0,0,1|1,0,1]=3 37 B8R0.6 C=CCCCC(=O)OC 6778AL [1,0,1,0,0,0|2,0,0]=4 38 B8R0.28 NC(=O)CCCC(=O)O 8447AD [1,0,1,0,0,0|1,0,0]=3 39 B8R0.28 NC(=O)COCC(=O)O 7538AD [1,0,1,0,0,0|2,0,0]=4 40 B8R0.15 CCCC(OC)C(=O)O 5382AE [1,0,1,0,0,0|1,0,1]=4 41 B8R0.15 CCC[C@@H](NC)C(=O)O 0554AP [1,0,1,0,0,0|1,0,1]=4 42 B8R0.9 CCC(=O)CCC(C)=O 8738AA [1,0,1,0,0,0|1,0,0]=3 43 B8R0.9 CCC(=O)COC(C)=O X5648 [1,0,1,0,0,0|2,0,0]=4 44 B8R0.9 CCC(=O)NCC(=O)O 7387AD [1,0,1,0,0,0|1,0,0]=3 45 B8R0.9 CNC(=O)CCC(=O)O 5678AE [1,0,1,0,0,0|1,0,0]=3 46 B8R0.23 C=C(C)C[C@H](N)C(=O)O 7037AH [1,0,1,0,0,0|2,0,0]=4 47 B8R0.23 CC(=O)CC(C)C(=O)O 7660AE [1,0,1,0,0,0|0,0,0]=2 48 B8R0.23 CC(=O)N(C)CC(=O)O 6236AE [1,0,1,0,0,0|1,0,0]=3 49 B8R0.23 CN(CC(=O)O)C(N)=O 9654AD [1,0,1,0,0,0|2,0,0]=4 50 B8R0.23 C[C@H](CC(=O)O)C(=O)O 9223AJ [1,0,1,0,0,0|1,0,0]=3 51 B8R0.23 NC(=O)[C@@H](N)CC(=O)O 6580AH [1,0,1,0,0,0|2,0,0]=4 52 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O E693 [1,0,1,0,0,0|1,0,1]=4 53 B8R0.18 CC(C)[C@@H](CN)C(=O)O 5651AC [1,0,1,0,0,0|1,0,1]=4 54 B8R0.18 CC(C)[C@H](CN)C(=O)O 0748AB [1,0,1,0,0,0|1,0,1]=4 55 B8R0.18 CC(C)[C@H](CN)C(=O)O 5355AA [1,0,1,0,0,0|1,0,1]=4 56 B8R0.18 CCC(C(=O)O)N(C)C 5509AD [1,0,1,0,0,0|1,0,1]=4 57 B8R0.18 CNC(C(=O)O)C(C)C Z5785 [1,0,1,0,0,0|1,0,1]=4 58 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O Z5815 [1,0,1,0,0,0|1,0,1]=4 59 B8R1.1 C=CC1CCC(=O)N1 X4185 [2,0,0,0,0,0|2,0,0]=4 60 B8R1.1 O=C1CC(CO)CN1 7314AE [2,0,0,0,0,0|1,0,1]=4 61 B8R1.1 O=C1CCC(CO)C1 W1896 [2,0,0,0,0,0|0,0,1]=3 62 B8R1.1 O=C1CCC(CO)N1 9405AB [2,0,0,0,0,0|1,0,1]=4 63 B8R1.7 CC(=O)C1CCNC1 Y4441 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.7 NC(=O)C1CCNC1 Z4774 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.7 NC(=O)[C@@H]1CCNC1 Z9357 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.7 NC(=O)[C@H]1CCNC1 4853AJ [2,0,0,0,0,0|2,0,0]=4 67 B8R1.7 O=C(O)C1C=CCO1 1916AL [2,0,0,0,0,0|1,0,1]=4 68 B8R1.7 O=C(O)[C@@H]1CCCN1 2188AC [2,0,0,0,0,0|1,0,1]=4 69 B8R1.7 O=C(O)[C@@H]1CCOC1 W7757 [2,0,0,0,0,0|1,0,0]=3 70 B8R1.7 O=C(O)[C@H]1CCOC1 Z1983 [2,0,0,0,0,0|1,0,0]=3 71 B8R1.50 CC1CCC(=O)N1C 0337AQ [2,0,0,0,0,0|1,0,1]=4 72 B8R1.50 O=C1CCC(=O)C1Br 4248AD [2,0,0,0,0,0|1,0,1]=4 73 B10R0.3 C=C(C)CCCC(=O)OCC 5166AB [0,1,1,0,0,0|2,0,0]=4 74 B10R0.3 CCOC(=O)CSCC(C)=O 7389AE [0,1,1,0,0,0|2,0,0]=4 75 B10R0.3 COCC(=O)NCCC(=O)O 1759AE [0,1,1,0,0,0|1,0,0]=3 76 B10R0.3 NCCC(=O)NCCC(=O)O 7080AH [0,1,1,0,0,0|1,0,0]=3 77 B10R0.65 CCS(=O)(=O)NCCC(=O)O 3277AF [0,1,1,0,0,0|2,0,0]=4 78 B10R0.82 COC(=O)CC[C@H](N)C(=O)O 3262AB [0,1,1,0,0,0|1,0,0]=3 79 B10R0.82 COC(=O)CC[C@H](N)C(N)=O 7146AH [0,1,1,0,0,0|2,0,0]=4 80 B10R0.98 CC(C)C(=O)CCCC(=O)O 2756AE [0,1,1,0,0,0|0,0,0]=2 81 B10R0.98 CN(C)C(=O)CCCC(=O)O 4709AD [0,1,1,0,0,0|1,0,0]=3 82 B10R0.98 C[C@H](N)C(=O)NCCC(=O)O 9720AJ [0,1,1,0,0,0|1,0,0]=3 83 B10R0.98 O=C(O)CCCC(=O)C(=O)O 0052AQ [0,1,1,0,0,0|1,0,1]=4 84 B10R0.17 CC(C)[C@H](C\C=C\Cl)C(=O)O X0117 [0,1,1,0,0,0|1,0,1]=4 85 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O X5352 [0,1,1,0,0,0|1,0,0]=3 86 B10R0.32 CNCC(=O)N(C)CC(=O)O 7685AH [0,1,1,0,0,0|1,0,0]=3 87 B10R0.46 COC(=O)C[C@@H](C)C(=O)OC P621 [0,1,1,0,0,0|1,0,0]=3 88 B10R0.117 C[C@H](C(=O)[O-])C(C)(C)C(=O)[O-] P622 [0,1,1,0,0,0|1,0,1]=4 89 B10R1.14 COC(=O)C1CCC(N)C1 5832AA [1,1,0,0,0,0|1,0,1]=4 90 B10R1.14 COC(=O)C1CCC(N)C1 7012AJ [1,1,0,0,0,0|1,0,1]=4 91 B10R1.14 COC(=O)C1CCC(O)C1 4256AJ [1,1,0,0,0,0|0,0,2]=4 92 B10R1.14 COC(=O)N1CCC(=O)C1 0657AC [1,1,0,0,0,0|1,0,0]=3 93 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 1231AL [1,1,0,0,0,0|0,0,0]=2 94 B10R1.58 CN1CC(C(N)=O)CC1=O 5143AJ [1,1,0,0,0,0|2,0,0]=4 95 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 V6120 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.359 O=C(O)C1CCS(=O)(=O)N1 X9093 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.470 CN1CCC(C)(C(=O)O)C1 2950AF [1,1,0,0,0,0|2,0,0]=4 98 B10R1.39 CCN1CCCC1C(=O)O 5308AD [1,1,0,0,0,0|1,0,1]=4 99 B10R1.128 CC1(C)CNCC1C(=O)O 2274AB [1,1,0,0,0,0|1,0,1]=4 100 B10R1.128 CC1(C)CNCC1C(=O)O X9902 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.128 CC1(C)CNC[C@@H]1C(=O)O 8671AH [1,1,0,0,0,0|1,0,1]=4 102 B10R1.149 COC(=O)[C@@H]1CCCN1C 0671AP [1,1,0,0,0,0|1,0,1]=4 103 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N 7134AJ [1,1,0,0,0,0|1,0,1]=4 104 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C 1439AA [1,1,0,0,0,0|1,0,1]=4 105 B12R1.1280 CC1(C)CC(=O)CCC1C(=O)O Y6218 [0,1,0,0,0,1|0,0,0]=2 106 B10R1.13 NC(=O)C1CCC(=O)CC1 0467AB [0,0,1,1,0,0|1,0,0]=3 107 B10R1.13 O=C(O)C1CC=C(Br)CC1 V8103 [0,0,1,1,0,0|1,0,1]=4 108 B10R1.13 O=C1CCC(C(=O)O)NC1 4743AF [0,0,1,1,0,0|1,0,0]=3 109 B10R1.54 CN1CCC(CC(=O)O)C1 0543AA [0,0,1,1,0,0|2,0,0]=4 110 B10R1.150 COC(=O)CC1CC(=O)C1 Z3903 [0,0,1,1,0,0|2,0,0]=4 111 B10R1.25 CCC1CNC(=O)CC1=O W8151 [0,0,1,1,0,0|2,0,0]=4 112 B10R1.61 CC1NCCCC1C(=O)O 1813AJ [0,0,1,1,0,0|1,0,1]=4 113 B10R1.348 O=C(O)C1CCC=CCC1 3962AJ [0,0,1,1,0,0|1,0,0]=3 114 B10R1.477 CC[C@@]1(C(=O)O)CCCN1 2972AH [0,0,1,1,0,0|1,0,1]=4 115 B10R1.64 O=C(O)CN1CSCC1=O 8320AC [0,0,1,1,0,0|2,0,0]=4 116 B10R1.361 O=C(O)C1CCC1C(=O)O 3225AL [0,0,1,1,0,0|1,0,0]=3 117 B8R1.23 CC1CC(C(=O)O)C1 3997AC [1,0,0,0,1,0|1,0,1]=4 118 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 3996AC [1,0,0,0,1,0|1,0,1]=4 119 B8R1.23 NC1CC(C(=O)O)C1 2935AC [1,0,0,0,1,0|1,0,1]=4 120 B8R1.23 NC1CC(C(=O)O)C1 3481AA [1,0,0,0,1,0|1,0,1]=4 121 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 W8206 [1,0,0,0,1,0|1,0,1]=4 122 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 2936AC [1,0,0,0,1,0|1,0,1]=4 123 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 W8205 [1,0,0,0,1,0|1,0,1]=4 124 B10R1.113 CN1CCNC(C(=O)O)C1 5645AH [1,0,0,0,0,1|2,0,0]=4 125 B10R1.113 O=C(O)C1CNCC(O)C1 3230AJ [1,0,0,0,0,1|0,0,2]=4 126 B10R1.113 O=C1CC(C(=O)O)CCN1 Z4483 [1,0,0,0,0,1|0,0,0]=2