0 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O 0185AE [0,0,0,0,0,0|2,0,0]=2 1 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O 9529AF [0,0,0,0,0,0|2,0,0]=2 2 B12R1.43 CC(OC1=CC=CC=C1)C(N)=O 5101AH [0,0,0,0,0,0|3,0,0]=3 3 B12R1.43 CC(SC1=CC=CC=N1)C(=O)O 0108AE [0,0,0,0,0,0|3,0,0]=3 4 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O W3956 [0,0,0,0,0,0|0,0,0]=0 5 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O 6856AC [0,0,0,0,0,0|1,0,0]=1 6 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O 4699AB [0,0,0,0,0,0|1,0,0]=1 7 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O X2941 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 4343AE [0,0,0,0,0,0|2,0,1]=3 9 B12R1.43 O=C(O)C(O)CC1=CN=CC=C1 4393AH [0,0,0,0,0,0|2,0,0]=2 10 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 R761 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y7506 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.40 CC(CN)CC1=CC=CC=C1 2217AC [1,0,0,0,0,0|2,0,1]=4 13 B11R1.40 N#CC(Br)CC1=CC=CC=C1 V6952 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.40 N#CC(N)CC1=CC=CC=C1 V6584 [1,0,0,0,0,0|1,0,1]=3 15 B11R1.40 N#CC(N)CC1=CC=CC=C1 V9283 [1,0,0,0,0,0|1,0,1]=3 16 B11R1.91 CC(=N)NCC1=CC=CC=C1 1916AH [1,0,0,0,0,0|3,0,0]=4 17 B11R1.91 CC(=O)COC1=CC=CC=C1 X5334 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.91 CC(=O)OCC1=CC=NC=C1 N216 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.91 N=C(N)CCC1=CC=CC=C1 8227AD [1,0,0,0,0,0|2,0,0]=3 20 B11R1.91 N=C(N)CSC1=CC=CC=C1 0460AF [1,0,0,0,0,0|3,0,0]=4 21 B11R1.91 NC(=O)CCC1=NC=CC=C1 5628AJ [1,0,0,0,0,0|2,0,0]=3 22 B11R1.91 NC(=[NH2+])SCC1=CC=CC=C1 AMTEC014 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.91 NC(N)=NCC1=CC=CC=C1 7568AD [1,0,0,0,0,0|3,0,0]=4 24 B11R1.91 O=C(Cl)CSC1=CC=NC=C1 E582 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.91 O=C(O)C#CC1=CC=CN=C1 5647AJ [1,0,0,0,0,0|1,0,2]=4 26 B11R1.91 O=C(O)C#CC1=NC=CC=C1 5629AJ [1,0,0,0,0,0|1,0,2]=4 27 B11R1.91 O=C(O)CCC1=NC=CC=N1 6060AB [1,0,0,0,0,0|2,0,0]=3 28 B11R1.91 O=C(O)COC1=CN=CC=C1 1038AF [1,0,0,0,0,0|2,0,0]=3 29 B11R1.91 O=C(O)CSC1=NC=CC=C1 7051AC [1,0,0,0,0,0|2,0,0]=3 30 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 8155AF [1,0,0,0,0,0|0,0,3]=4 31 B13R1.133 CC(CC1=CC=C(Cl)C=C1)C(=O)O 7328AC [0,1,0,0,0,0|1,0,0]=2 32 B13R1.133 CC(OC1=CC=C(Br)C=C1)C(=O)O 0111AE [0,1,0,0,0,0|2,0,0]=3 33 B13R1.133 CC(OC1=CC=C(Cl)C=C1)C(=O)O X6269 [0,1,0,0,0,0|2,0,0]=3 34 B13R1.133 C[C@H](OC1=CC=C(O)C=C1)C(=O)O V2122 [0,1,0,0,0,0|2,0,0]=3 35 B13R1.133 NC1=CC=C(NC(=O)C(=O)O)C=C1 8057AF [0,1,0,0,0,0|2,0,1]=4 36 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 7300AA [0,1,0,0,0,0|0,0,0]=1 37 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 C107 [0,1,0,0,0,0|1,0,1]=3 38 B13R1.133 O=C(O)C(F)CC1=CC=C(O)C=C1 7683AB [0,1,0,0,0,0|1,0,0]=2 39 B13R1.135 C=C(CC1=CC=CC=C1)C(=O)OC A535 [0,1,0,0,0,0|1,0,1]=3 40 B13R1.135 CC(OC1=CC=CC=C1)C(=O)NN 4839AE [0,1,0,0,0,0|3,0,0]=4 41 B13R1.135 CN(CC1=CC=CC=C1)C(=O)CN 1604AD [0,1,0,0,0,0|3,0,0]=4 42 B13R1.135 CNC(=O)C(N)CC1=CC=CC=C1 2851AD [0,1,0,0,0,0|1,0,0]=2 43 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=N1 8305AA [0,1,0,0,0,0|1,0,0]=2 44 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)CCl V6404 [0,1,0,0,0,0|1,0,0]=2 45 B13R1.148 CC(OC1=CC(Br)=CC=C1)C(=O)O 2882AE [0,1,0,0,0,0|2,0,0]=3 46 B13R1.148 CC(OC1=CC=CC(Br)=C1)C(N)=O 3098AF [0,1,0,0,0,0|3,0,0]=4 47 B13R1.148 CC(OC1=CC=CC(F)=C1)C(=O)O 2887AF [0,1,0,0,0,0|2,0,0]=3 48 B13R1.148 CC1=CC(C[C@H](N)C(=O)O)=CC=C1 Z3666 [0,1,0,0,0,0|0,0,0]=1 49 B13R1.148 NC1=CC=CC(CC(N)C(=O)O)=C1 2723AB [0,1,0,0,0,0|0,0,0]=1 50 B13R1.148 N[C@@H](CC1=CC(I)=CC=C1)C(=O)O 0664AB [0,1,0,0,0,0|0,0,0]=1 51 B13R1.148 N[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O Z3664 [0,1,0,0,0,0|0,0,0]=1 52 B13R1.148 N[C@@H](CC1=CC=CC(O)=C1)C(=O)O Z3665 [0,1,0,0,0,0|0,0,0]=1 53 B13R1.148 N[C@H](CC1=CC=CC(I)=C1)C(=O)O 4562AA [0,1,0,0,0,0|0,0,0]=1 54 B13R1.148 O=C(O)C(=O)NC1=CC(Cl)=CC=C1 5911AD [0,1,0,0,0,0|2,0,1]=4 55 B13R1.148 O=C(O)C(=O)NC1=CC=CC(F)=C1 1494AF [0,1,0,0,0,0|2,0,1]=4 56 B13R1.152 N[C@H](C1=CC=CC=C1)[C@@H](O)C(=O)O 8070AB [0,1,0,0,0,0|1,0,0]=2 57 B13R1.202 CC(=O)C(C)OC1=CC=CC=C1O 2892AF [0,1,0,0,0,0|3,0,0]=4 58 B13R1.202 CC(CC1=C(Cl)C=CC=C1)C(=O)O 1519AF [0,1,0,0,0,0|1,0,0]=2 59 B13R1.202 CC(OC1=CC=CC=C1Br)C(=O)O 9058AE [0,1,0,0,0,0|2,0,0]=3 60 B13R1.202 NC(CC1=CC=CC=C1I)C(=O)O 0209AB [0,1,0,0,0,0|0,0,0]=1 61 B13R1.202 NC1=CC=CC=C1CC(N)C(=O)O 9213AA [0,1,0,0,0,0|0,0,0]=1 62 B13R1.202 N[C@@H](CC1=CC=CC=C1I)C(=O)O V3702 [0,1,0,0,0,0|0,0,0]=1 63 B13R1.202 O=C(O)C(=O)NC1=CC=CC=C1Cl 9660AE [0,1,0,0,0,0|2,0,1]=4 64 B13R1.418 N#CC(CC1=CC=CC=C1)C(=O)O 5530AJ [0,1,0,0,0,0|0,0,1]=2 65 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O 5357AA [0,1,0,0,0,0|0,0,0]=1 66 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O 9592AA [0,1,0,0,0,0|0,0,0]=1 67 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O W7037 [0,1,0,0,0,0|1,0,0]=2 68 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O Z5774 [0,1,0,0,0,0|0,0,0]=1 69 B13R2.369 NC1CC2=CC=CC=C2NC1=O 2765AE [0,0,0,1,0,0|1,0,0]=2 70 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1Br 2378AL [0,0,0,1,0,0|1,0,2]=4 71 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 8324AB [0,0,0,1,0,0|1,0,0]=2 72 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 1279AJ [0,0,0,1,0,0|2,0,0]=3 73 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 6031AC [0,0,0,1,0,0|1,0,0]=2 74 B13R2.435 CC(=O)C1=NC2=CC=CC=C2N1 S727 [0,0,0,1,0,0|2,0,1]=4 75 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)C1 5744AB [0,0,0,1,0,0|1,0,1]=3 76 B13R2.435 O=C(O)C1=NC2=C(C=CN=C2)N1 9033AF [0,0,0,1,0,0|2,0,1]=4 77 B13R2.435 O=C(O)C1=NC2=CC=CC=C2S1 W5763 [0,0,0,1,0,0|1,0,2]=4 78 B13R2.435 O=C(O)C1OC2=CC=CC=C2O1 0228AF [0,0,0,1,0,0|2,0,0]=3 79 B11R1.35 NC(CC1=COC=C1)C(=O)O 4688AB [0,0,0,0,1,0|1,0,0]=2 80 B11R1.35 NC(CC1=CSC=C1)C(=O)O 4687AB [0,0,0,0,1,0|1,0,0]=2 81 B11R1.35 NC(CC1=NC=CS1)C(=O)O 0260AA [0,0,0,0,1,0|2,0,0]=3 82 B11R1.35 NC(CN1C=CC=N1)C(=O)O 1495AJ [0,0,0,0,1,0|2,0,0]=3 83 B11R1.35 NC(CN1C=NC=N1)C(=O)O 2383AA [0,0,0,0,1,0|3,0,0]=4 84 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O Q849 [0,0,0,0,1,0|1,0,0]=2 85 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O Q870 [0,0,0,0,1,0|1,0,0]=2 86 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O Q850 [0,0,0,0,1,0|1,0,0]=2 87 B11R1.35 N[C@@H](CN1C=CC=N1)C(=O)O 3479AL [0,0,0,0,1,0|2,0,0]=3 88 B11R1.35 N[C@H](CC1=CSC=C1)C(=O)O 7655AA [0,0,0,0,1,0|1,0,0]=2 89 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 2006AC [0,0,0,0,1,0|2,0,0]=3 90 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Y8969 [0,0,0,0,1,0|1,0,0]=2 91 B11R1.36 CC(=O)C(O)C1=CC=CC=C1 5136AJ [0,0,0,0,1,0|2,0,0]=3 92 B11R1.36 CC(C(=O)O)C1=NC=CC=N1 1362AH [0,0,0,0,1,0|3,0,0]=4 93 B11R1.36 CC(C)C(N)C1=CC=CC=C1 1780AB [0,0,0,0,1,0|2,0,1]=4 94 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 7205AB [0,0,0,0,1,0|2,0,1]=4 95 B11R1.36 CN(C(=O)Cl)C1=CC=CC=C1 Y1505 [0,0,0,0,1,0|3,0,0]=4 96 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 9111AE [0,0,0,0,1,0|2,0,0]=3 97 B11R1.36 NC(C(=O)O)C1=CN=CC=C1 5421AJ [0,0,0,0,1,0|1,0,0]=2 98 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 5219AB [0,0,0,0,1,0|2,0,1]=4 99 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 7920AA [0,0,0,0,1,0|1,0,0]=2 100 B11R1.36 O=C(O)C(O)C1=CN=CC=C1 HTS033680 [0,0,0,0,1,0|2,0,0]=3 101 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 1874AE [0,0,0,0,0,1|2,0,0]=3 102 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CN=C1 2462AB [0,0,0,0,0,1|1,0,0]=2 103 B13R1.351 CC(=O)C(C)OCC1=CC=CC=C1 4595AF [0,0,0,0,0,1|2,0,0]=3 104 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O 3119AH [0,0,0,0,0,1|1,0,0]=2 105 B13R1.351 CC(SCC1=CC=CC=C1)C(=O)O Y8576 [0,0,0,0,0,1|1,0,0]=2 106 B10R1.17 O=CCOC1=CC=CC=C1 0811AB [2,0,0,0,0,0|1,0,0]=3 107 B10R1.17 O=CNNC1=CC=CC=C1 9369AB [2,0,0,0,0,0|2,0,0]=4 108 B10R1.17 OCCSC1=CC=CC=C1 K990 [2,0,0,0,0,0|1,0,1]=4 109 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 Z6329 [2,0,0,0,0,0|2,0,0]=4 110 B10R1.18 CC(N)CC1=CC=CC=N1 4560AE [2,0,0,0,0,0|1,0,1]=4 111 B10R1.18 CC(N)CC1=CC=NC=C1 4587AH [2,0,0,0,0,0|1,0,1]=4 112 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 7881AA [2,0,0,0,0,0|1,0,0]=3 113 B10R1.18 N=C(N)CC1=CC=CC=C1 1942AB [2,0,0,0,0,0|1,0,1]=4 114 B12R1.34 CC(C1=CC=CC=C1)C(N)CO HTS033199 [1,1,0,0,0,0|0,0,1]=3 115 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 C822 [1,1,0,0,0,0|0,0,1]=3 116 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 6908AB [1,1,0,0,0,0|0,0,1]=3 117 B12R1.49 O=CC(Cl)CC1=CC=C(Cl)C=C1 Y6536 [1,1,0,0,0,0|1,0,0]=3 118 B12R1.118 COC(CN)CC1=CC=CC=C1 1715AF [1,1,0,0,0,0|2,0,0]=4 119 B12R1.118 OCC(CO)CC1=CC=CC=C1 3161AH [1,1,0,0,0,0|1,0,1]=4 120 B12R1.194 CC(C)(C=O)SC1=CC=CC=C1 7249AE [1,1,0,0,0,0|2,0,0]=4 121 B12R1.371 CC1=C(CC(N)CO)C=CC=C1 1475AJ [1,1,0,0,0,0|0,0,1]=3 122 B12R1.371 O=CC(Cl)CC1=CC=CC=C1Cl Y6122 [1,1,0,0,0,0|1,0,0]=3 123 B12R1.21 C=C(Cl)CCC1=CC=C(Cl)C=C1 8896AE [1,1,0,0,0,0|2,0,0]=4 124 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 2186AC [1,1,0,0,0,0|1,0,0]=3 125 B12R1.21 CC(=O)CCC1=CC=C(Cl)C=C1 1146AE [1,1,0,0,0,0|1,0,0]=3 126 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 0915AF [1,1,0,0,0,0|2,0,0]=4 127 B12R1.21 CC(O)CCC1=CC=C(O)C=C1 6197AL [1,1,0,0,0,0|1,0,1]=4 128 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 7457AD [1,1,0,0,0,0|1,0,0]=3 129 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 7458AD [1,1,0,0,0,0|1,0,0]=3 130 B12R1.21 C[C@H](O)CCC1=CC=C(O)C=C1 9964AJ [1,1,0,0,0,0|1,0,1]=4 131 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 W4673 [1,1,0,0,0,0|1,0,0]=3 132 B12R1.21 NC1=CC=C(SCC(=O)O)C=C1 8075AF [1,1,0,0,0,0|1,0,0]=3 133 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 7761AB [1,1,0,0,0,0|0,0,2]=4 134 B12R1.21 O=C(O)C=CC1=CC=C(S)C=C1 2914AB [1,1,0,0,0,0|0,0,2]=4 135 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 O075 [1,1,0,0,0,0|1,0,0]=3 136 B12R1.21 O=C(O)COC1=CC=C(O)C=C1 8063AF [1,1,0,0,0,0|1,0,0]=3 137 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 3157AL [1,1,0,0,0,0|2,0,0]=4 138 B12R1.27 CCC(=O)CCC1=CC=CC=C1 U874 [1,1,0,0,0,0|1,0,0]=3 139 B12R1.27 COC(=O)CCC1=CC=NC=C1 6999AJ [1,1,0,0,0,0|1,0,0]=3 140 B12R1.27 COC(=O)CCC1=CN=CN=C1 X7986 [1,1,0,0,0,0|2,0,0]=4 141 B12R1.27 NNC(=O)CCC1=CN=CC=C1 9437AJ [1,1,0,0,0,0|2,0,0]=4 142 B12R1.27 O=C(NO)NNC1=CC=CC=C1 1378AD [1,1,0,0,0,0|2,0,0]=4 143 B12R1.107 CC(CC(=O)O)C1=CN=CC=C1 3138AF [1,1,0,0,0,0|1,0,0]=3 144 B12R1.107 CN(CC(=O)O)C1=NC=CC=C1 0429AA [1,1,0,0,0,0|2,0,0]=4 145 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 3454AA [1,1,0,0,0,0|0,0,2]=4 146 B12R1.125 CC(=O)CCC1=CC=CC=C1Cl 3201AF [1,1,0,0,0,0|1,0,0]=3 147 B12R1.125 CC1=C(OCC(=O)Cl)C=CC=C1 4865AD [1,1,0,0,0,0|2,0,0]=4 148 B12R1.125 O=C(O)CCN1C=CC=CC1=O 0599AC [1,1,0,0,0,0|1,0,0]=3 149 B12R1.125 O=C(O)CCN1C=CC=CC1=O 1458AF [1,1,0,0,0,0|1,0,0]=3 150 B12R1.125 O=C(O)CNC1=C(Br)C=CC=C1 5549AB [1,1,0,0,0,0|1,0,0]=3 151 B12R1.226 CC(=O)CCC1=CC=CC(F)=C1 1147AE [1,1,0,0,0,0|1,0,0]=3 152 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 Z3568 [1,1,0,0,0,0|0,0,2]=4 153 B12R1.226 NC(=O)CCC1=CC(Br)=CC=C1 5635AJ [1,1,0,0,0,0|1,0,0]=3 154 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 3449AD [1,1,0,0,0,0|0,0,2]=4 155 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 0483AC [1,1,0,0,0,0|0,0,0]=2 156 B12R1.226 O=C(O)\C=C\C1=CC=CC(I)=C1 W6157 [1,1,0,0,0,0|0,0,2]=4 157 B12R1.891 NS(=O)(=O)CCC1=CC=CC=C1 Y6084 [1,1,0,0,0,0|1,0,1]=4 158 B12R1.104 CN1C=NC(C[C@H](N)C(=O)O)=C1 V0979 [0,1,0,0,1,0|2,0,0]=4 159 B12R1.104 N[C@@H](CC1=CNC(=S)N1)C(=O)O 0298AB [0,1,0,0,1,0|2,0,0]=4 160 B12R1.145 CN1C=NC=C1C[C@@H](N)C(=O)O 7106AH [0,1,0,0,1,0|2,0,0]=4 161 B12R1.145 CN1C=NC=C1C[C@H](N)C(=O)O N129 [0,1,0,0,1,0|2,0,0]=4 162 B12R1.298 CNC(CC1=CNC=N1)C(=O)O Z5729 [0,1,0,0,1,0|2,0,0]=4 163 B12R1.298 CN[C@@H](CC1=CNC=N1)C(=O)O Z5689 [0,1,0,0,1,0|2,0,0]=4 164 B12R1.298 CN[C@H](CC1=CNC=N1)C(=O)O Z5719 [0,1,0,0,1,0|2,0,0]=4 165 B12R1.20 CC(=O)C(Br)C1=CC=C(O)C=C1 6547AC [0,1,0,0,1,0|2,0,0]=4 166 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 W8302 [0,1,0,0,1,0|1,0,0]=3 167 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 5426AJ [0,1,0,0,1,0|0,0,0]=2 168 B12R1.124 CC(=O)N(N)C1=CC=CC=C1Br B233 [0,1,0,0,1,0|2,0,0]=4 169 B12R1.124 NC1=C(C(=O)C(=O)O)C=CC=C1 6619AB [0,1,0,0,1,0|1,0,1]=4 170 B12R1.124 NC1=C(C(O)C(=O)[O-])C=CC=C1 5191AB [0,1,0,0,1,0|1,0,1]=4 171 B12R1.124 N[C@H](C(=O)O)C1=C(Br)C=CC=C1 1082AL [0,1,0,0,1,0|0,0,0]=2 172 B12R1.124 O=C(O)C(=O)C1=C(F)C=CC=C1 2424AC [0,1,0,0,1,0|1,0,1]=4 173 B12R1.225 CC(C(=O)O)C1=CC=CC(F)=C1 0039AC [0,1,0,0,1,0|1,0,0]=3 174 B12R1.225 CC1=CC(C(C)C(=O)O)=CC=C1 1119AJ [0,1,0,0,1,0|1,0,0]=3 175 B12R1.225 CC1=CC(C(N)C(=O)O)=CC=C1 6321AD [0,1,0,0,1,0|0,0,0]=2 176 B12R1.225 CC1=CC=CC(C(N)C(=O)O)=C1 5420AJ [0,1,0,0,1,0|0,0,0]=2 177 B12R1.225 O=C(O)C(=O)C1=CC(Cl)=CC=C1 1737AL [0,1,0,0,1,0|1,0,1]=4 178 B12R1.225 O=C(O)C(O)C1=CC=CC(F)=C1 2419AE [0,1,0,0,1,0|1,0,0]=3 179 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 8261AB [0,1,0,0,1,0|0,0,0]=2 180 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 Y9290 [0,1,0,0,1,0|1,0,0]=3 181 B12R1.478 CC(=O)C(CO)C1=CC=CC=C1 9433AB [0,1,0,0,1,0|2,0,0]=4 182 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 6032AB [0,1,0,0,1,0|0,0,0]=2 183 B12R1.478 NC[C@H](C(=O)O)C1=CC=CC=C1 0283AA [0,1,0,0,1,0|0,0,0]=2 184 B14R1.337 CC1=CC=CC=C1C[C@H](N)CC(=O)O Z5882 [0,1,0,0,0,1|0,0,0]=2 185 B14R1.337 N[C@@H](CC(=O)O)CC1=C(Br)C=CC=C1 5367AB [0,1,0,0,0,1|0,0,0]=2 186 B14R1.337 N[C@@H](CC(=O)O)CC1=C(Cl)C=CC=C1 2444AB [0,1,0,0,0,1|0,0,0]=2 187 B14R1.337 N[C@H](CC(=O)O)CC1=C(Br)C=CC=C1 5427AB [0,1,0,0,0,1|0,0,0]=2 188 B14R1.337 N[C@H](CC(=O)O)CC1=CC=CC=C1F 1893AB [0,1,0,0,0,1|0,0,0]=2 189 B14R1.417 O=C(O)CC(Br)C(=O)C1=CC=CC=C1 5122AE [0,1,0,0,0,1|1,0,1]=4 190 B14R1.425 C[C@@H](C(=O)O)N(C)CC1=CC=CC=C1 6171AH [0,1,0,0,0,1|2,0,0]=4 191 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O X9722 [0,1,0,0,0,1|0,0,0]=2 192 B14R1.698 CC1=CC=C(C[C@@H](N)CC(=O)O)C=C1 9329AA [0,1,0,0,0,1|0,0,0]=2 193 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(I)C=C1 Z5798 [0,1,0,0,0,1|0,0,0]=2 194 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(O)C=C1 W5529 [0,1,0,0,0,1|0,0,0]=2 195 B14R1.161 NC(CCC1=C(Cl)C=CC=C1)C(=O)O 4749AA [0,1,0,0,0,1|0,0,0]=2 196 B14R1.415 O=C(NC(O)C(=O)O)C1=CC=CC=C1 8400AA [0,1,0,0,0,1|1,0,1]=4 197 B14R1.679 N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O V1131 [0,1,0,0,0,1|0,0,0]=2 198 B14R1.679 N[C@H](CCC1=CC=C(O)C=C1)C(=O)O Z5698 [0,1,0,0,0,1|0,0,0]=2 199 B14R1.756 COC(=O)[C@@H](C)NCC1=CC=CC=C1 4198AF [0,1,0,0,0,1|1,0,0]=3 200 B14R1.4194 O=C(O)C(CO)NCC1=CC=CC=C1 5252AJ [0,1,0,0,0,1|1,0,0]=3 201 B14R1.3 CCC1=CC=C(C[C@@H](N)C(=O)O)C=C1 Q377 [0,2,0,0,0,0|0,0,0]=2 202 B14R1.3 CCC1=CC=C(C[C@H](N)C(=O)O)C=C1 Q378 [0,2,0,0,0,0|0,0,0]=2 203 B14R1.3 CCC1=CC=C(OC(C)C(=O)O)C=C1 4722AF [0,2,0,0,0,0|2,0,0]=4 204 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 1017AA [0,2,0,0,0,0|0,0,0]=2 205 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 E554 [0,2,0,0,0,0|0,0,0]=2 206 B14R1.3 NCC1=CC=C(C[C@@H](N)C(=O)O)C=C1 4019AA [0,2,0,0,0,0|0,0,0]=2 207 B14R1.3 NCC1=CC=C(C[C@H](N)C(=O)O)C=C1 7531AA [0,2,0,0,0,0|0,0,0]=2 208 B14R1.134 COC(=O)[C@H](O)CC1=CC=C(F)C=C1 6850AJ [0,2,0,0,0,0|1,0,0]=3 209 B14R1.536 CCC(OC1=CC=C(Br)C=C1)C(=O)O 4302AD [0,2,0,0,0,0|2,0,0]=4 210 B14R1.536 CCC(OC1=CC=C(C)C=C1)C(=O)O 4301AD [0,2,0,0,0,0|2,0,0]=4 211 B14R1.536 CCC(OC1=CC=C(Cl)C=C1)C(=O)O U469 [0,2,0,0,0,0|2,0,0]=4 212 B14R1.536 CCC(OC1=CC=C(F)C=C1)C(=O)O 5180AD [0,2,0,0,0,0|2,0,0]=4 213 B14R1.536 CN[C@@H](CC1=CC=C(O)C=C1)C(=O)O Z5915 [0,2,0,0,0,0|0,0,0]=2 214 B14R1.536 NCC(CC1=CC=C(Cl)C=C1)C(=O)O 5775AJ [0,2,0,0,0,0|0,0,0]=2 215 B14R1.536 NCC(CC1=CC=C(F)C=C1)C(=O)O 1990AL [0,2,0,0,0,0|0,0,0]=2 216 B14R1.686 CC1=CC(OC(C)C(=O)O)=CC=C1Cl 9639AE [0,2,0,0,0,0|2,0,0]=4 217 B14R1.686 CC1=CC=C(C[C@H](N)C(=O)O)C=C1C 7003AA [0,2,0,0,0,0|0,0,0]=2 218 B14R1.686 CC1=CC=C(C[C@H](N)C(=O)O)C=C1C Q487 [0,2,0,0,0,0|0,0,0]=2 219 B14R1.686 CC1=CC=C(OC(C)C(=O)O)C=C1C 8404AD [0,2,0,0,0,0|2,0,0]=4 220 B14R1.686 NC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)O 7949AB [0,2,0,0,0,0|0,0,0]=2 221 B14R1.686 N[C@@H](CC1=CC=C(O)C(F)=C1)C(=O)O W8200 [0,2,0,0,0,0|0,0,0]=2 222 B14R1.686 N[C@H](CC1=CC(O)=C(O)C=C1)C(=O)O O103 [0,2,0,0,0,0|0,0,0]=2 223 B14R1.6049 CC(OC1=CC=C(Br)C=C1Cl)C(=O)O 6207AE [0,2,0,0,0,0|2,0,0]=4 224 B14R1.6049 CC(OC1=CC=C(Cl)C=C1Br)C(=O)O 4629AF [0,2,0,0,0,0|2,0,0]=4 225 B14R1.6049 CC(OC1=CC=C(F)C=C1Cl)C(=O)O 6374AD [0,2,0,0,0,0|2,0,0]=4 226 B14R1.6049 CC(OC1=CC=C(F)C=C1F)C(=O)O 4832AE [0,2,0,0,0,0|2,0,0]=4 227 B14R1.6049 CC1=CC(C)=C(C[C@H](N)C(=O)O)C=C1 6379AB [0,2,0,0,0,0|0,0,0]=2 228 B14R1.6049 CC1=CC(C)=C(OC(C)C(=O)O)C=C1 9630AE [0,2,0,0,0,0|2,0,0]=4 229 B14R1.6049 NC(CC1=C(F)C=C(F)C=C1)C(=O)O 3551AB [0,2,0,0,0,0|0,0,0]=2 230 B14R1.6049 NC(CC1=CC=C(O)C=C1O)C(=O)O 8625AB [0,2,0,0,0,0|0,0,0]=2 231 B14R1.6049 N[C@@H](CN1C=CC(=O)NC1=O)C(=O)O 2990AH [0,2,0,0,0,0|2,0,0]=4 232 B14R1.7626 CC(C)(OC1=CC=C(N)C=C1)C(=O)O 2772AA [0,2,0,0,0,0|2,0,0]=4 233 B14R1.7626 CC1=CC=C(OC(C)(C)C(=O)O)C=C1 7932AD [0,2,0,0,0,0|2,0,0]=4 234 B14R1.7626 C[C@](N)(CC1=CC=C(O)C=C1)C(=O)O 9591AJ [0,2,0,0,0,0|0,0,0]=2 235 B14R1.60 CCNC(=O)C(N)CC1=CC=CC=C1 3092AD [0,2,0,0,0,0|1,0,0]=3 236 B14R1.60 CCOC(=O)C(N)CC1=CC=CC=N1 4032AJ [0,2,0,0,0,0|1,0,0]=3 237 B14R1.60 CCOC(=O)C(N)CC1=NC=CC=C1 0821AA [0,2,0,0,0,0|1,0,0]=3 238 B14R1.135 COC(=O)[C@H](N)CC1=CC(F)=CC=C1 V4168 [0,2,0,0,0,0|0,0,0]=2 239 B14R1.1031 CNC(CC1=CC=CC=C1)C(=O)OC 7561AH [0,2,0,0,0,0|0,0,0]=2 240 B14R1.75 COC1=CC(OC(C)C(=O)O)=CC=C1 8877AE [0,2,0,0,0,0|2,0,0]=4 241 B14R1.75 NCC1=CC(C[C@@H](N)C(=O)O)=CC=C1 3985AA [0,2,0,0,0,0|0,0,0]=2 242 B14R1.153 CC1=C(C)C(OC(C)C(=O)O)=CC=C1 7689AD [0,2,0,0,0,0|2,0,0]=4 243 B14R1.153 N[C@@H](CC1=CC=CC(Cl)=C1Cl)C(=O)O 3816AC [0,2,0,0,0,0|0,0,0]=2 244 B14R1.542 CCC(OC1=CC=CC(C)=C1)C(=O)O 8988AC [0,2,0,0,0,0|2,0,0]=4 245 B14R1.4257 CC1=CC(C)=CC(OC(C)C(=O)O)=C1 9640AE [0,2,0,0,0,0|2,0,0]=4 246 B14R1.4257 NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)O 5447AA [0,2,0,0,0,0|0,0,0]=2 247 B14R1.4257 N[C@@H](CC1=CC(Cl)=CC(Cl)=C1)C(=O)O Z5624 [0,2,0,0,0,0|0,0,0]=2 248 B14R1.4257 N[C@@H](CC1=CC(Cl)=CC(Cl)=C1)C(=O)O Z5644 [0,2,0,0,0,0|0,0,0]=2 249 B14R1.4257 N[C@@H](CC1=CC(I)=CC(I)=C1)C(=O)O W4347 [0,2,0,0,0,0|0,0,0]=2 250 B14R1.4404 C[C@](N)(CC1=CC(Br)=CC=C1)C(=O)O 0613AP [0,2,0,0,0,0|0,0,0]=2 251 B14R1.4474 CC(OC1=C(Cl)C=CC(Cl)=C1)C(=O)O 8318AE [0,2,0,0,0,0|2,0,0]=4 252 B14R1.4474 CC1=CC(OC(C)C(=O)O)=C(Cl)C=C1 9452AD [0,2,0,0,0,0|2,0,0]=4 253 B14R1.4474 CC1=CC=C(C)C(OC(C)C(=O)O)=C1 6399AD [0,2,0,0,0,0|2,0,0]=4 254 B14R1.4474 NC(CC1=CC(Cl)=CC=C1Cl)C(=O)O 5445AA [0,2,0,0,0,0|0,0,0]=2 255 B14R1.4474 N[C@H](CC1=CC(F)=CC=C1F)C(=O)O 2402AB [0,2,0,0,0,0|0,0,0]=2 256 B14R1.243 CC1=CC=CC=C1[C@@H](N)[C@@H](O)C(=O)O 4049AA [0,2,0,0,0,0|1,0,0]=3 257 B14R1.550 CCC(OC1=CC=CC=C1C)C(=O)O 5182AD [0,2,0,0,0,0|2,0,0]=4 258 B14R1.3135 COC1=CC=CC=C1CC(N)C(=O)O 1465AB [0,2,0,0,0,0|0,0,0]=2 259 B14R1.3135 COC1=CC=CC=C1OC(C)C(=O)O 8876AE [0,2,0,0,0,0|2,0,0]=4 260 B14R1.3135 NCC1=CC=CC=C1C[C@H](N)C(=O)O 4232AH [0,2,0,0,0,0|0,0,0]=2 261 B14R1.5882 CC1=C(OC(C)(C)C(=O)O)C=CC=C1 5117AE [0,2,0,0,0,0|2,0,0]=4 262 B14R1.5971 CC(OC1=C(Cl)C=CC=C1Cl)C(=O)O 1713AL [0,2,0,0,0,0|2,0,0]=4 263 B14R1.5971 CC1=CC=CC(C)=C1OC(C)C(=O)O 3013AD [0,2,0,0,0,0|2,0,0]=4 264 B14R1.5971 NC(CC1=C(Cl)C=CC=C1Cl)C(=O)O 5446AA [0,2,0,0,0,0|0,0,0]=2 265 B14R1.4513 O=C(O)C(CC1=CC=CC=C1)C(=O)O M039 [0,2,0,0,0,0|1,0,0]=3 266 B12R2.18 NC1CC2=C(C=CC=C2)C1=O W7922 [1,0,0,1,0,0|0,0,0]=2 267 B12R2.18 NC1CC2=CC=CC=C2C1O 7525AA [1,0,0,1,0,0|0,0,1]=3 268 B12R2.24 NC1CCC2=CC=CC=C2C1 3016AB [1,0,0,1,0,0|1,0,1]=4 269 B12R2.24 NC1CNC2=CC=CC=C2C1 5514AB [1,0,0,1,0,0|1,0,1]=4 270 B12R2.24 NC1COC2=C(C=CC=C2)C1 9046AB [1,0,0,1,0,0|0,0,1]=3 271 B12R2.24 NC1COC2=C(C=CC=C2)C1 9680AA [1,0,0,1,0,0|0,0,1]=3 272 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 1181AL [1,0,0,1,0,0|1,0,1]=4 273 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 1283AL [1,0,0,1,0,0|1,0,1]=4 274 B12R2.27 OCC1CC1C2=CC=CC=C2 9271AB [1,0,0,1,0,0|1,0,1]=4 275 B12R2.27 OC[C@H]1O[C@@H]1C2=CC=CC=C2 7395AJ [1,0,0,1,0,0|1,0,1]=4 276 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 Y8104 [1,0,0,1,0,0|0,0,2]=4 277 B12R2.32 O=CC1CC2=CC=CC=C2C1 1349AJ [1,0,0,1,0,0|1,0,0]=3 278 B12R2.32 OCC1CC2=CC=CC=C2C1 7876AB [1,0,0,1,0,0|1,0,1]=4 279 B12R2.32 OCC1CC2=CC=CC=C2N1 1350AJ [1,0,0,1,0,0|0,0,1]=3 280 B12R2.94 NC1(CC2=CC=CC=C2)CC1 8899AD [1,0,0,1,0,0|1,0,1]=4 281 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 8284AB [1,0,0,1,0,0|1,0,0]=3 282 B12R2.1354 O=C(O)C1CC1C2=CC=CS2 1904AJ [0,0,0,1,1,0|2,0,0]=4 283 B14R2.19 O=C1CC(CC2=CC=CC=C2)CN1 9516AD [0,0,0,1,0,1|2,0,0]=4 284 B14R2.19 O=C1CC(CC2=CC=CC=C2)CO1 2634AL [0,0,0,1,0,1|1,0,0]=3 285 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CO1 7199AA [0,0,0,1,0,1|1,1,0]=4 286 B14R2.768 O=C(O)C=C1CC2=C(C=CC=C2)C1 4153AJ [0,0,0,1,0,1|1,0,1]=4 287 B14R2.768 O=C(O)CN1CC2=CC=CC=C2C1 4606AB [0,0,0,1,0,1|2,0,0]=4 288 B14R2.260 CC1N=C(C2=CC=CC=C2)OC1=O 2770AL [0,0,0,1,0,1|1,0,1]=4 289 B14R2.741 NC1CCC2=CC=CC=C2NC1=O W8886 [0,0,0,1,0,1|1,0,0]=3 290 B14R2.741 N[C@@H]1CCC2=C(C=CC=C2)NC1=O 8993AH [0,0,0,1,0,1|1,0,0]=3 291 B14R2.781 NC(=O)C1CCC2=C(C=CC=C2)N1 3193AF [0,0,0,1,0,1|1,0,0]=3 292 B14R2.781 O=C(Cl)C1COC2=CC=CC=C2O1 1717AE [0,0,0,1,0,1|2,0,0]=4 293 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)OC1 Y8342 [0,0,0,1,0,1|1,0,1]=4 294 B14R2.781 O=C(O)C1CNC2=C(C=CC=C2)C1 Z3947 [0,0,0,1,0,1|1,0,0]=3 295 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 6436AD [0,0,0,1,0,1|1,0,0]=3 296 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 9090AH [0,0,0,1,0,1|0,0,0]=2 297 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 9091AH [0,0,0,1,0,1|0,0,0]=2 298 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=C2)N1 8936AH [0,0,0,1,0,1|0,0,0]=2 299 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)N2 W3994 [0,1,0,1,0,0|0,0,2]=4 300 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Cl)=C2)N1 9355AF [0,1,0,1,0,0|1,0,1]=4 301 B14R2.4529 O=C(O)C1=NC2=CC(F)=CC=C2N1 Y5598 [0,1,0,1,0,0|1,0,1]=4 302 B14R2.4529 O=C(O)C1CC2=CC(O)=CC=C2O1 2685AA [0,1,0,1,0,0|1,0,0]=3 303 B14R2.8239 NC1=CC2=C(C=C(O)C=C2)OC1=O W8495 [0,1,0,1,0,0|0,0,2]=4 304 B14R2.30 O=C1CCCC1CC2=CC=CC=C2 2822AB [0,1,0,1,0,0|2,0,0]=4 305 B14R2.958 COC(=O)C1OC1C2=CC=CC=C2 1834AE [0,1,0,1,0,0|1,0,0]=3 306 B14R2.4476 O=C(O)C1CC1C2=CC(Cl)=CC=C2 5208AJ [0,1,0,1,0,0|1,0,0]=3 307 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC(F)=CC=C2 4676AJ [0,1,0,1,0,0|1,0,0]=3 308 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 H127 [0,1,0,1,0,0|0,0,2]=4 309 B14R2.7969 O=C(O)C1CC2=C(C1)C(O)=CC=C2 8641AA [0,1,0,1,0,0|1,0,0]=3 310 B14R2.450 CC1=C(C(=O)O)NC2=CC=CC=C21 8267AC [0,1,0,1,0,0|0,0,2]=4 311 B14R2.450 CN1C2=CC=CC=C2N=C1C(=O)O Z4393 [0,1,0,1,0,0|1,0,1]=4 312 B14R2.450 O=C(O)C1=C(I)C2=CC=CC=C2N1 5377AD [0,1,0,1,0,0|0,0,2]=4 313 B14R2.789 CC1(C(=O)O)CC2=C(C=CC=C2)C1 1808AJ [0,1,0,1,0,0|1,0,0]=3 314 B14R2.789 NC(=O)C1(N)CC2=C(C=CC=C2)C1 HTS033243 [0,1,0,1,0,0|1,0,0]=3 315 B14R2.789 NC1(C(=O)O)CC2=CC=CC=C2C1 2618AB [0,1,0,1,0,0|0,0,0]=2 316 B14R2.5443 O=C(O)C1CC1C2=C(Br)C=CC=C2 5186AJ [0,1,0,1,0,0|1,0,0]=3 317 B14R2.5443 O=C(O)C1CC1C2=CC=CC=C2Cl 5190AJ [0,1,0,1,0,0|1,0,0]=3 318 B10R1.15 CCC(N)C1=CC=CC=C1 8188AD [1,0,0,0,1,0|1,0,1]=4 319 B10R1.15 NC(CF)C1=CC=CC=C1 0514AQ [1,0,0,0,1,0|1,0,1]=4 320 B10R1.15 NC(CO)C1=CC=CN=C1 1473AJ [1,0,0,0,1,0|1,0,1]=4 321 B10R1.15 NC(CO)C1=CC=CN=C1 W5825 [1,0,0,0,1,0|1,0,1]=4 322 B10R1.15 NC(CO)C1=CC=NC=C1 1467AJ [1,0,0,0,1,0|1,0,1]=4 323 B10R1.15 NCC(N)C1=CC=CC=C1 8359AB [1,0,0,0,1,0|1,0,1]=4 324 B10R1.15 NCC(N)C1=CC=CC=C1 8461AA [1,0,0,0,1,0|1,0,1]=4 325 B10R1.66 CC(=O)CCC1=CC=CO1 8369AE [1,0,0,0,1,0|2,0,0]=4 326 B10R1.66 O=C(O)CCC1=CC=CN1 X6372 [1,0,0,0,1,0|1,0,0]=3 327 B10R1.66 O=C(O)CCC1=CNC=N1 Y6981 [1,0,0,0,1,0|2,0,0]=4 328 B10R1.66 O=C(O)CCN1C=CN=C1 W4087 [1,0,0,0,1,0|2,0,0]=4 329 B10R1.66 O=C(O)CNC1=CSC=C1 Z5612 [1,0,0,0,1,0|2,0,0]=4 330 B10R1.23 CC(C(=O)O)C1=CC=CS1 7991AB [0,0,0,0,2,0|2,0,0]=4 331 B10R1.23 CC(C(=O)O)N1C=CC=C1 9754AB [0,0,0,0,2,0|2,0,0]=4 332 B10R1.23 NC(C(=O)O)C1=COC=C1 X3278 [0,0,0,0,2,0|1,0,0]=3 333 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 Z5876 [0,0,0,0,2,0|1,0,0]=3 334 B12R1.252 O=C(O)CCCC1=CC=NC=C1 7697AC [1,0,0,0,0,1|1,0,0]=3 335 B12R1.252 O=C(O)CCCC1=CC=NC=C1 8657AE [1,0,0,0,0,1|1,0,0]=3 336 B12R1.252 O=C(O)CNCC1=NC=CC=C1 Z2473 [1,0,0,0,0,1|1,0,0]=3 337 B12R1.260 N[C@@H](CC(=O)O)CC1=CSC=C1 4352AH [0,0,0,0,1,1|1,0,0]=3 338 B12R1.260 N[C@H](CC(=O)O)CC1=CC=CO1 4422AH [0,0,0,0,1,1|1,0,0]=3 339 B12R1.260 N[C@H](CC(=O)O)CC1=CSC=C1 4423AH [0,0,0,0,1,1|1,0,0]=3 340 B14R1.6449 N[C@H](CCCC1=CC=CC=C1)C(=O)O 4535AB [0,0,0,0,0,2|0,0,0]=2 341 B14R1.6449 N[C@H](CSCC1=CC=CC=C1)C(=O)O 1478AB [0,0,0,0,0,2|0,0,0]=2 342 B14R1.6449 O=C(O)C(O)COCC1=CC=CC=C1 Y7358 [0,0,0,0,0,2|1,0,0]=3