0 B9R1.35 CC(=O)N1CCC(=O)C1 Z2278 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 CN1CC[C@@H](C(=O)O)C1 6381AC [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 CN1CC[C@H](C(=O)O)C1 6382AC [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 NC1=CC=C(C(=O)O)N1 3677AC [0,0,0,0,0,0|1,0,3]=4 4 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 4684AJ [0,0,0,0,0,0|2,0,1]=3 5 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 8377AH [0,0,0,0,0,0|2,0,1]=3 6 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 3938AJ [0,0,0,0,0,0|2,0,1]=3 7 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 8419AH [0,0,0,0,0,0|2,0,1]=3 8 B9R1.35 O=C(O)[C@@H]1CC[C@@H](O)C1 8378AH [0,0,0,0,0,0|1,0,2]=3 9 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 3940AJ [0,0,0,0,0,0|1,0,2]=3 10 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 8380AH [0,0,0,0,0,0|1,0,2]=3 11 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 1615AA [0,0,0,0,0,0|1,0,2]=3 12 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 Z5993 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 U345 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Z1691 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.35 O=C1NCC(C(=O)O)N1 5596AJ [0,0,0,0,0,0|1,0,0]=1 16 B8R1.1 C=C[C@@H]1COC(=O)C1 4157AA [1,0,0,0,0,0|3,0,0]=4 17 B8R1.1 C=C[C@H]1COC(=O)C1 1309AL [1,0,0,0,0,0|3,0,0]=4 18 B8R1.1 COC1CCC(=O)N1 W1034 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.1 NC[C@@H]1CCC(=O)N1 7181AA [1,0,0,0,0,0|1,0,1]=3 20 B8R1.1 O=C1CCC(CBr)O1 3312AH [1,0,0,0,0,0|2,0,1]=4 21 B8R1.1 O=C1CCC(CCl)O1 2512AE [1,0,0,0,0,0|2,0,1]=4 22 B8R1.1 O=C1CC[C@H](CO)O1 B249 [1,0,0,0,0,0|1,0,1]=3 23 B8R1.7 CC(=O)[C@@H]1CCCO1 5805AA [1,0,0,0,0,0|2,0,1]=4 24 B8R1.7 CC(=O)[C@H]1CCCO1 0229AC [1,0,0,0,0,0|2,0,1]=4 25 B8R1.7 O=C(O)[C@@H]1C=CCN1 Z1675 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.14 COC(=O)C1=CC(=O)CC1 X3410 [0,1,0,0,0,0|1,0,1]=3 27 B10R1.14 COC(=O)C1C=CC(=O)C1 8926AB [0,1,0,0,0,0|1,0,2]=4 28 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 1231AL [0,1,0,0,0,0|1,0,0]=2 29 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 9012AA [0,1,0,0,0,0|1,0,2]=4 30 B10R1.194 CC1C(=O)OCC1C(=O)O 2883AJ [0,1,0,0,0,0|2,0,0]=3 31 B10R1.470 CN1CCC(C)(C(=O)O)C1 2950AF [0,1,0,0,0,0|3,0,0]=4 32 B8R0.8 C#CCC[C@H](N)C(=O)O 0450AP [0,0,1,0,0,0|1,0,1]=3 33 B8R0.8 CSCCC(O)C(=O)O 5652AL [0,0,1,0,0,0|3,0,0]=4 34 B8R0.9 CC(=O)NNC(=O)CCl 2532AE [0,0,1,0,0,0|3,0,0]=4 35 B8R0.23 CC(=O)CC(N)C(=O)O 6118AB [0,0,1,0,0,0|2,0,0]=3 36 B8R0.28 CC(=O)CNCC(C)=O W1126 [0,0,1,0,0,0|3,0,0]=4 37 B8R0.28 CC(=O)C\C=C\C(=O)O 7022AA [0,0,1,0,0,0|1,0,2]=4 38 B8R0.28 O=C(O)\C=C\CC(=O)O C638 [0,0,1,0,0,0|1,0,2]=4 39 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 X5561 [0,0,0,1,0,0|2,0,1]=4 40 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 Z1752 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.23 CC1CC(C(=O)O)C1 3997AC [0,0,0,0,1,0|2,0,1]=4 42 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 3996AC [0,0,0,0,1,0|2,0,1]=4 43 B8R1.31 CC1CCC1C(=O)O 5817AB [0,0,0,0,1,0|1,0,1]=3 44 B10R1.13 CC(=O)C1CC=C(Br)CC1 V7124 [0,0,0,0,0,1|3,0,0]=4 45 B10R1.13 CC1CCC(C(=O)O)CN1 3607AJ [0,0,0,0,0,1|1,0,1]=3 46 B10R1.13 CC1CCC(C(N)=O)CN1 2603AF [0,0,0,0,0,1|2,0,1]=4 47 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 8584AH [0,0,0,0,0,1|0,0,2]=3 48 B10R1.13 O=C1CCC(C(=O)O)NC1 3297AJ [0,0,0,0,0,1|0,0,0]=1 49 B10R1.13 O=C1CCC(C(=O)O)NC1 4743AF [0,0,0,0,0,1|0,0,0]=1 50 B10R1.54 CN1CCC(CC(=O)O)C1 1504AA [0,0,0,0,0,1|3,0,0]=4 51 B10R1.54 O=C(O)CC1CCC(O)C1 1109AJ [0,0,0,0,0,1|1,0,2]=4 52 B10R1.54 O=C(O)CN1CCC(=O)C1 8658AH [0,0,0,0,0,1|2,0,0]=3 53 B10R1.54 O=C(O)CN1CCC(=O)C1 8659AH [0,0,0,0,0,1|2,0,0]=3 54 B10R1.113 CC1CCCC(C(=O)O)C1 6026AA [0,0,0,0,0,1|2,0,1]=4 55 B10R1.113 CN1CCNC(C(=O)O)C1 2893AJ [0,0,0,0,0,1|3,0,0]=4 56 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 4020AL [0,0,0,0,0,1|2,0,1]=4 57 B10R1.113 O=C(O)C1CC(O)CCN1 6950AA [0,0,0,0,0,1|1,0,2]=4 58 B10R1.113 O=C(O)[C@H]1C[C@@H](O)CCN1 8222AA [0,0,0,0,0,1|1,0,2]=4 59 B7R0.4 NCCNCC(=O)O W4767 [1,0,1,0,0,0|1,0,1]=4 60 B7R0.5 CC(CCN)C(=O)O 5853AB [1,0,1,0,0,0|2,0,0]=4 61 B7R0.5 CCC[C@H](Cl)C(=O)O Z6042 [1,0,1,0,0,0|1,0,1]=4 62 B7R0.5 CNC[C@H](N)C(=O)O Q370 [1,0,1,0,0,0|1,0,1]=4 63 B7R0.5 CNC[C@H](N)C(=O)O X6422 [1,0,1,0,0,0|1,0,1]=4 64 B7R0.5 C[Se]C[C@H](N)C(=O)O 0288AP [1,0,1,0,0,0|1,0,1]=4 65 B7R0.5 NCCC(F)C(=O)O 0888AE [1,0,1,0,0,0|2,0,0]=4 66 B7R0.5 NCCC(N)C(=O)O 3213AB [1,0,1,0,0,0|1,0,0]=3 67 B7R0.15 CCC(NC)C(N)=O 1348AD [1,0,1,0,0,0|1,0,1]=4 68 B7R0.15 CNC(CS)C(=O)O 4317AD [1,0,1,0,0,0|1,0,1]=4 69 B7R1.2 O=C1CCC(F)C1 3909AA [2,0,0,0,0,0|2,0,0]=4 70 B9R0.7 CC(CCC(=O)O)C(=O)O 5731AL [0,1,1,0,0,0|1,0,0]=3 71 B9R0.7 NC(CCC(=O)O)C(=O)O 7909AA [0,1,1,0,0,0|0,0,0]=2 72 B9R0.47 C#CCCC[C@@H](N)C(=O)O 0447AP [0,1,1,0,0,0|1,0,1]=4 73 B9R0.47 C#CCCC[C@H](N)C(=O)O 0446AP [0,1,1,0,0,0|1,0,1]=4 74 B9R0.47 NC(CCCCO)C(=O)O 3217AB [0,1,1,0,0,0|0,0,2]=4 75 B9R0.47 N[C@@H](CCCCO)C(=O)O 8990AB [0,1,1,0,0,0|0,0,2]=4 76 B9R0.47 N[C@@H](CSCCO)C(=O)O Q367 [0,1,1,0,0,0|0,0,2]=4 77 B9R0.51 C=CCC[C@](C)(N)C(=O)O 0606AP [0,1,1,0,0,0|1,0,0]=3 78 B9R0.23 COC(=O)[C@H](N)CC(=O)O 5515AA [0,1,1,0,0,0|2,0,0]=4 79 B9R0.24 CCC(=O)CCC(=O)CC 3019AB [0,1,1,0,0,0|2,0,0]=4 80 B9R0.48 CCCC(=O)CCC(=O)O 3321AF [0,1,1,0,0,0|1,0,0]=3 81 B9R0.39 CN[C@H](CC(N)=O)C(=O)O 0546AP [0,1,1,0,0,0|2,0,0]=4 82 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O X7354 [0,1,1,0,0,0|2,0,0]=4 83 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O 9056AB [0,1,1,0,0,0|2,0,0]=4 84 B9R0.1 O=C(O)CCNC(=O)CCl 3961AE [0,1,1,0,0,0|2,0,0]=4 85 B9R0.53 CC(=O)NC(C)CC(=O)O 4009AD [0,1,1,0,0,0|2,0,0]=4 86 B9R1.7 N#CC[C@@H]1CCC(=O)N1 9252AH [1,1,0,0,0,0|1,0,1]=4 87 B9R1.132 CN1C(=O)CCC1CN X2997 [1,1,0,0,0,0|1,0,1]=4 88 B9R1.11 COC(=O)C1CSCN1 6568AE [1,1,0,0,0,0|1,0,1]=4 89 B9R1.11 NOC(=O)C1CCOC1 Y5069 [1,1,0,0,0,0|2,0,0]=4 90 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O 5662AB [1,1,0,0,0,0|1,0,1]=4 91 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O 5394AA [1,1,0,0,0,0|1,0,1]=4 92 B9R1.163 CC1(C(=O)O)CCNC1 2340AJ [1,1,0,0,0,0|2,0,0]=4 93 B9R1.163 C[C@@]1(C(N)=O)CCCN1 4841AJ [1,1,0,0,0,0|1,0,1]=4 94 B9R1.163 N1CC[C@](C(=O)O)(N)C1 Z2135 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.163 N[C@@]1(C(=O)O)CCOC1 1301AL [1,1,0,0,0,0|2,0,0]=4 96 B9R1.164 O=C(O)C1CS(=O)(=O)C1 X3407 [0,1,0,0,1,0|2,0,0]=4 97 B9R1.81 COC(=O)[C@H]1CC[C@H]1N 4769AE [0,1,0,0,1,0|1,0,1]=4 98 B11R1.22 COC(=O)C1=NNC(=O)CC1 2351AF [0,1,0,0,0,1|0,0,1]=3 99 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 7293AC [0,1,0,0,0,1|1,0,1]=4 100 B11R1.22 COC(=O)[C@H]1CNC(=O)CN1 3763AA [0,1,0,0,0,1|1,0,0]=3 101 B11R1.23 COC(=O)C1CC(=O)CCN1 2911AJ [0,1,0,0,0,1|1,0,0]=3 102 B11R1.23 COC(=O)C1CC(=O)CCN1 4287AJ [0,1,0,0,0,1|1,0,0]=3 103 B11R1.23 COC(=O)C1CNNC(=O)C1 4798AD [0,1,0,0,0,1|2,0,0]=4 104 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 4527AB [0,2,0,0,0,0|1,0,1]=4 105 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)C1 2771AC [0,2,0,0,0,0|1,0,1]=4 106 B11R1.175 O=C(O)[C@@H]1CC[C@H](C(=O)O)O1 1326AB [0,2,0,0,0,0|1,0,1]=4 107 B11R1.488 NC1CS(=O)(=O)CC1C(=O)O 6626AA [0,2,0,0,0,0|2,0,0]=4 108 B9R1.93 C=C[C@@H]1C[C@]1(N)C(=O)O W3466 [0,0,1,1,0,0|1,0,0]=3 109 B9R1.49 O=C1CCNC(=O)CC1 3823AJ [0,0,1,1,0,0|2,0,0]=4 110 B11R2.139 O=C1CC2CC(=O)CC2C1 4751AE [0,0,0,1,0,1|2,0,0]=4 111 B11R2.201 [C@H]12CC[C@H](C1)C(=O)OC2=O 9035AB [0,1,0,1,0,0|1,0,1]=4 112 B7R0.16 CC(=O)C(F)C(C)=O 1795AC [0,0,1,0,1,0|2,0,0]=4 113 B7R0.16 CC(=O)C(N)C(=O)O 0001AC [0,0,1,0,1,0|1,0,0]=3 114 B7R1.18 O=C(O)C1CSC1 1921AC [1,0,0,0,1,0|1,0,1]=4 115 B9R1.2 CCC1CCCC(=O)N1 7643AB [1,0,0,0,0,1|1,0,1]=4 116 B9R1.2 NCC1CCCC(=O)N1 3337AJ [1,0,0,0,0,1|1,0,1]=4 117 B11R1.565 O=C1CCC(C(=O)O)CCO1 6627AB [0,0,0,0,0,2|1,0,0]=3 118 B11R1.75 O=C(O)CCC1CCC(=O)C1 4130AB [0,0,0,0,0,2|1,0,0]=3 119 B11R1.75 O=C(O)CCC1CCC(=O)N1 9629AE [0,0,0,0,0,2|0,0,0]=2