0 B12R1.43 CC(=O)C(C)CC1=CC=CC=C1 2082AB [0,0,0,0,0,0|2,0,0]=2 1 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O 0185AE [0,0,0,0,0,0|2,0,0]=2 2 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O 9529AF [0,0,0,0,0,0|2,0,0]=2 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=CC=NC=C1)C(=O)O 9377AA [0,0,0,0,0,0|1,0,0]=1 7 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O 4699AB [0,0,0,0,0,0|1,0,0]=1 8 B12R1.43 N[C@H](CC1=CC=CC=N1)C(=O)O 4348AH [0,0,0,0,0,0|1,0,0]=1 9 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 4343AE [0,0,0,0,0,0|2,0,1]=3 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 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 4193AA [0,0,0,0,0,0|1,0,2]=3 12 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y7506 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.40 CC(CN)CC1=CC=CC=C1 2217AC [1,0,0,0,0,0|2,0,1]=4 14 B11R1.91 CC(=N)NCC1=CC=CC=C1 1916AH [1,0,0,0,0,0|3,0,0]=4 15 B11R1.91 CC(=N)SCC1=CC=CC=C1 3158AL [1,0,0,0,0,0|3,0,0]=4 16 B11R1.91 CC(=O)OCC1=CC=NC=C1 N216 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.91 N=C(N)CCC1=CC=CC=C1 8227AD [1,0,0,0,0,0|2,0,0]=3 18 B11R1.91 N=C(N)COC1=CC=CC=C1 0368AC [1,0,0,0,0,0|3,0,0]=4 19 B11R1.91 NC(=O)C#CC1=CC=CC=C1 2477AL [1,0,0,0,0,0|1,0,2]=4 20 B11R1.91 NC(=O)CCC1=NC=CC=C1 5628AJ [1,0,0,0,0,0|2,0,0]=3 21 B11R1.91 NC(=O)CNC1=CC=CC=C1 V4420 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.91 NC(N)=NCC1=CC=CC=C1 7568AD [1,0,0,0,0,0|3,0,0]=4 23 B11R1.91 O=C(O)C#CC1=CC=CN=C1 5647AJ [1,0,0,0,0,0|1,0,2]=4 24 B11R1.91 O=C(O)C#CC1=CC=NC=C1 5670AJ [1,0,0,0,0,0|1,0,2]=4 25 B11R1.91 O=C(O)CCC1=NC=CC=C1 V3472 [1,0,0,0,0,0|1,0,0]=2 26 B11R1.91 O=C(O)CCC1=NC=CC=N1 6060AB [1,0,0,0,0,0|2,0,0]=3 27 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z3284 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.91 O=C(O)CSC1=NC=CC=C1 7051AC [1,0,0,0,0,0|2,0,0]=3 29 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 8155AF [1,0,0,0,0,0|0,0,3]=4 30 B13R1.133 CC(CC1=CC=C(Br)C=C1)C(=O)O Y5507 [0,1,0,0,0,0|1,0,0]=2 31 B13R1.133 CC(OC1=CC=C(Br)C=C1)C(=O)O 0111AE [0,1,0,0,0,0|2,0,0]=3 32 B13R1.133 CC(OC1=CC=C(Cl)C=C1)C(=O)O X6269 [0,1,0,0,0,0|2,0,0]=3 33 B13R1.133 CC(OC1=CC=C(F)C=C1)C(=O)O 8891AE [0,1,0,0,0,0|2,0,0]=3 34 B13R1.133 CC1=CC=C(OC(C)C(=O)O)C=C1 7688AD [0,1,0,0,0,0|2,0,0]=3 35 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 36 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 5562AH [0,1,0,0,0,0|0,0,0]=1 37 B13R1.133 NC1=CC=C(NC(=O)C(=O)O)C=C1 8057AF [0,1,0,0,0,0|2,0,1]=4 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 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 1582AB [0,1,0,0,0,0|1,0,0]=2 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 CNC(=O)[C@H](N)CC1=CC=CC=C1 7143AA [0,1,0,0,0,0|1,0,0]=2 44 B13R1.135 COC(=O)C(Cl)CC1=CC=CC=C1 6952AJ [0,1,0,0,0,0|1,0,0]=2 45 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 2136AB [0,1,0,0,0,0|0,0,0]=1 46 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=N1 8305AA [0,1,0,0,0,0|1,0,0]=2 47 B13R1.135 COC(=O)[C@H](N)CC1=CC=CN=C1 0152AB [0,1,0,0,0,0|1,0,0]=2 48 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)CCl V6404 [0,1,0,0,0,0|1,0,0]=2 49 B13R1.148 CC(OC1=CC(Br)=CC=C1)C(=O)O 2882AE [0,1,0,0,0,0|2,0,0]=3 50 B13R1.148 CC(OC1=CC=CC(Br)=C1)C(N)=O 3098AF [0,1,0,0,0,0|3,0,0]=4 51 B13R1.148 CC1=CC(C[C@H](N)C(=O)O)=CC=C1 Z3666 [0,1,0,0,0,0|0,0,0]=1 52 B13R1.148 CC1=CC=CC(OC(C)C(=O)O)=C1 8403AD [0,1,0,0,0,0|2,0,0]=3 53 B13R1.148 NC1=CC=CC(CC(N)C(=O)O)=C1 2723AB [0,1,0,0,0,0|0,0,0]=1 54 B13R1.148 N[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O Z3664 [0,1,0,0,0,0|0,0,0]=1 55 B13R1.148 N[C@H](CC1=CC=CC(I)=C1)C(=O)O 4562AA [0,1,0,0,0,0|0,0,0]=1 56 B13R1.148 O=C(O)C(=O)NC1=CC=CC(F)=C1 1494AF [0,1,0,0,0,0|2,0,1]=4 57 B13R1.152 CN(C(=O)C(=O)O)C1=CC=CC=C1 3650AD [0,1,0,0,0,0|2,0,1]=4 58 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 9490AE [0,1,0,0,0,0|0,0,0]=1 59 B13R1.202 CC(=O)C(C)OC1=CC=CC=C1O 2892AF [0,1,0,0,0,0|3,0,0]=4 60 B13R1.202 CC(OC1=CC=CC=C1Br)C(=O)O 9058AE [0,1,0,0,0,0|2,0,0]=3 61 B13R1.202 CC(OC1=CC=CC=C1F)C(=O)O 5506AD [0,1,0,0,0,0|2,0,0]=3 62 B13R1.202 CC1=CC=CC=C1NC(=O)C(=O)O 2766AE [0,1,0,0,0,0|2,0,1]=4 63 B13R1.202 NC(CC1=C(O)C=CC=C1)C(=O)O 1632AB [0,1,0,0,0,0|0,0,0]=1 64 B13R1.202 NC(CC1=CC=CC=C1Cl)C(=O)O W3070 [0,1,0,0,0,0|0,0,0]=1 65 B13R1.202 NC(CC1=CC=CC=C1I)C(=O)O 0209AB [0,1,0,0,0,0|0,0,0]=1 66 B13R1.202 NC1=CC=CC=C1CC(N)C(=O)O 9213AA [0,1,0,0,0,0|0,0,0]=1 67 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O 5357AA [0,1,0,0,0,0|0,0,0]=1 68 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O 9592AA [0,1,0,0,0,0|0,0,0]=1 69 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 5874AA [0,1,0,0,0,0|0,0,0]=1 70 B13R2.369 CN1CC2=C(C=CC=C2)NC1=O 2084AJ [0,0,0,1,0,0|3,0,0]=4 71 B13R2.369 NC1CC2=CC=CC=C2NC1=O 2765AE [0,0,0,1,0,0|1,0,0]=2 72 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1O 1581AE [0,0,0,1,0,0|2,0,1]=4 73 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 1279AJ [0,0,0,1,0,0|2,0,0]=3 74 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 75 B13R2.435 CC(=O)C1=NC2=CC=CC=C2N1 S727 [0,0,0,1,0,0|2,0,1]=4 76 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)C1 5744AB [0,0,0,1,0,0|1,0,1]=3 77 B13R2.435 O=C(O)C1=NC2=C(C=CN=C2)N1 9033AF [0,0,0,1,0,0|2,0,1]=4 78 B13R2.435 O=C(O)C1=NC2=CC=CN=C2N1 6832AC [0,0,0,1,0,0|2,0,1]=4 79 B13R2.435 O=C(O)C1OC2=CC=CC=C2O1 0228AF [0,0,0,1,0,0|2,0,0]=3 80 B11R1.35 NC(CC1=COC=C1)C(=O)O 4688AB [0,0,0,0,1,0|1,0,0]=2 81 B11R1.35 NC(CC1=CSC=C1)C(=O)O 4687AB [0,0,0,0,1,0|1,0,0]=2 82 B11R1.35 NC(CC1=CSC=N1)C(=O)O 7313AA [0,0,0,0,1,0|2,0,0]=3 83 B11R1.35 NC(CC1=NC=CS1)C(=O)O 0260AA [0,0,0,0,1,0|2,0,0]=3 84 B11R1.35 NC(CN1C=NC=N1)C(=O)O 2383AA [0,0,0,0,1,0|3,0,0]=4 85 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O G556 [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)N(C)C1=CC=CC=C1 E850 [0,0,0,0,1,0|3,0,0]=4 90 B11R1.36 CC(C)C(N)C1=CC=CC=C1 1780AB [0,0,0,0,1,0|2,0,1]=4 91 B11R1.36 CN(C(=O)Cl)C1=CC=CC=C1 Y1505 [0,0,0,0,1,0|3,0,0]=4 92 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 9111AE [0,0,0,0,1,0|2,0,0]=3 93 B11R1.36 NC(C(=O)O)C1=NC=CC=C1 Z5933 [0,0,0,0,1,0|1,0,0]=2 94 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 5219AB [0,0,0,0,1,0|2,0,1]=4 95 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 7920AA [0,0,0,0,1,0|1,0,0]=2 96 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=NC=C1 2463AB [0,0,0,0,0,1|1,0,0]=2 97 B13R1.351 CC(=O)C(C)OCC1=CC=CC=C1 4595AF [0,0,0,0,0,1|2,0,0]=3 98 B13R1.351 CC(CCC1=CC=CC=C1)C(=O)O 1797AJ [0,0,0,0,0,1|1,0,0]=2 99 B13R1.351 CC(SCC1=CC=CC=C1)C(=O)O Y8576 [0,0,0,0,0,1|1,0,0]=2 100 B10R1.17 O=CCOC1=CC=CC=C1 0811AB [2,0,0,0,0,0|1,0,0]=3 101 B10R1.17 O=CNNC1=CC=CC=C1 9369AB [2,0,0,0,0,0|2,0,0]=4 102 B10R1.17 OCCCC1=NC=CC=C1 5625AJ [2,0,0,0,0,0|1,0,1]=4 103 B10R1.18 CC(N)CC1=CC=CC=N1 4560AE [2,0,0,0,0,0|1,0,1]=4 104 B10R1.18 CC(O)CC1=CC=CC=N1 5034AE [2,0,0,0,0,0|2,0,0]=4 105 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 7881AA [2,0,0,0,0,0|1,0,0]=3 106 B10R1.18 C[C@H](O)CC1=CC=CC=C1 7611AA [2,0,0,0,0,0|1,0,0]=3 107 B10R1.18 N=C(N)CC1=CC=CC=C1 1942AB [2,0,0,0,0,0|1,0,1]=4 108 B10R1.18 NC(=S)CC1=CC=CC=C1 7353AE [2,0,0,0,0,0|0,1,1]=4 109 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 C822 [1,1,0,0,0,0|0,0,1]=3 110 B12R1.49 O=CC(Cl)CC1=CC=C(Cl)C=C1 Y6536 [1,1,0,0,0,0|1,0,0]=3 111 B12R1.118 COC(CN)CC1=CC=CC=C1 1715AF [1,1,0,0,0,0|2,0,0]=4 112 B12R1.194 CC(C)(C=O)SC1=CC=CC=C1 7249AE [1,1,0,0,0,0|2,0,0]=4 113 B12R1.21 C=C(Cl)CCC1=CC=C(Cl)C=C1 8896AE [1,1,0,0,0,0|2,0,0]=4 114 B12R1.21 CC(=O)CCC1=CC=C(Cl)C=C1 1146AE [1,1,0,0,0,0|1,0,0]=3 115 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 0960AQ [1,1,0,0,0,0|2,0,0]=4 116 B12R1.21 CC(O)CCC1=CC=C(O)C=C1 6197AL [1,1,0,0,0,0|1,0,1]=4 117 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 7457AD [1,1,0,0,0,0|1,0,0]=3 118 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 7458AD [1,1,0,0,0,0|1,0,0]=3 119 B12R1.21 C[C@H](O)CCC1=CC=C(O)C=C1 9964AJ [1,1,0,0,0,0|1,0,1]=4 120 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 6031AE [1,1,0,0,0,0|2,0,0]=4 121 B12R1.21 NC(=O)NCC1=CC=C(F)C=C1 9422AE [1,1,0,0,0,0|2,0,0]=4 122 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 7761AB [1,1,0,0,0,0|0,0,2]=4 123 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 Z4594 [1,1,0,0,0,0|0,0,2]=4 124 B12R1.21 O=C(O)C=CC1=CC=C(S)C=C1 2914AB [1,1,0,0,0,0|0,0,2]=4 125 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 6555AL [1,1,0,0,0,0|0,0,0]=2 126 B12R1.27 CCC(=O)CCC1=CC=CC=C1 U874 [1,1,0,0,0,0|1,0,0]=3 127 B12R1.27 COC(=O)CCC1=CC=NC=C1 6999AJ [1,1,0,0,0,0|1,0,0]=3 128 B12R1.27 COC(=O)NCC1=CC=CC=C1 6020AE [1,1,0,0,0,0|1,0,0]=3 129 B12R1.27 N\C(COC1=CC=CC=C1)=N/O 2638AF [1,1,0,0,0,0|2,0,0]=4 130 B12R1.27 O=C(NO)NNC1=CC=CC=C1 1378AD [1,1,0,0,0,0|2,0,0]=4 131 B12R1.107 CN(CC(=O)O)C1=NC=CC=C1 0429AA [1,1,0,0,0,0|2,0,0]=4 132 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 3454AA [1,1,0,0,0,0|0,0,2]=4 133 B12R1.107 N[C@H](CC(=O)O)C1=CN=CC=C1 7786AA [1,1,0,0,0,0|1,0,0]=3 134 B12R1.125 CC(=O)CCC1=CC=CC=C1Cl 3201AF [1,1,0,0,0,0|1,0,0]=3 135 B12R1.125 O=C(O)CCN1C=CC=CC1=O 0599AC [1,1,0,0,0,0|1,0,0]=3 136 B12R1.125 O=C(O)CCN1C=CC=CC1=O 1458AF [1,1,0,0,0,0|1,0,0]=3 137 B12R1.125 O=C(O)CNC1=CC=CC=C1F W6767 [1,1,0,0,0,0|1,0,0]=3 138 B12R1.226 CC(=O)CCC1=CC=CC(F)=C1 1147AE [1,1,0,0,0,0|1,0,0]=3 139 B12R1.226 NC(=O)CCC1=CC(Br)=CC=C1 5635AJ [1,1,0,0,0,0|1,0,0]=3 140 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 0483AC [1,1,0,0,0,0|0,0,0]=2 141 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 V3888 [1,1,0,0,0,0|1,0,0]=3 142 B12R1.226 O=C(O)\C=C\C1=CC=CC(I)=C1 W6157 [1,1,0,0,0,0|0,0,2]=4 143 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 4042AL [1,1,0,0,0,0|1,0,0]=3 144 B12R1.104 CN1C=NC(C[C@H](N)C(=O)O)=C1 V0979 [0,1,0,0,1,0|2,0,0]=4 145 B12R1.104 N[C@@H](CC1=CNC(=S)N1)C(=O)O 0298AB [0,1,0,0,1,0|2,0,0]=4 146 B12R1.298 CNC(CC1=CNC=N1)C(=O)O Z5729 [0,1,0,0,1,0|2,0,0]=4 147 B12R1.298 CN[C@@H](CC1=CNC=N1)C(=O)O Z5689 [0,1,0,0,1,0|2,0,0]=4 148 B12R1.298 CN[C@H](CC1=CNC=N1)C(=O)O Z5719 [0,1,0,0,1,0|2,0,0]=4 149 B12R1.20 CC(=O)C(Br)C1=CC=C(O)C=C1 6547AC [0,1,0,0,1,0|2,0,0]=4 150 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 V7421 [0,1,0,0,1,0|0,0,0]=2 151 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 5426AJ [0,1,0,0,1,0|0,0,0]=2 152 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Br)C=C1 3070AC [0,1,0,0,1,0|0,0,0]=2 153 B12R1.20 O=C(O)C(Br)C1=CC=C(Cl)C=C1 Y6551 [0,1,0,0,1,0|1,0,0]=3 154 B12R1.20 O=C(O)C(Br)C1=CC=C(F)C=C1 1179AQ [0,1,0,0,1,0|1,0,0]=3 155 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Cl)C=C1 Z5112 [0,1,0,0,1,0|1,0,0]=3 156 B12R1.20 O=C([O-])C(O)C1=CC=C(O)C=C1 0691AC [0,1,0,0,1,0|1,0,1]=4 157 B12R1.124 NC1=C(C(O)C(=O)[O-])C=CC=C1 5191AB [0,1,0,0,1,0|1,0,1]=4 158 B12R1.225 CC(C(=O)O)C1=CC=CC(F)=C1 0039AC [0,1,0,0,1,0|1,0,0]=3 159 B12R1.225 CC1=CC(C(C)C(=O)O)=CC=C1 1119AJ [0,1,0,0,1,0|1,0,0]=3 160 B12R1.225 CC1=CC(C(N)C(=O)O)=CC=C1 6321AD [0,1,0,0,1,0|0,0,0]=2 161 B12R1.225 CC1=CC=CC(C(N)C(=O)O)=C1 5420AJ [0,1,0,0,1,0|0,0,0]=2 162 B12R1.225 NC(C(=O)O)C1=CC=CC(F)=C1 5419AJ [0,1,0,0,1,0|0,0,0]=2 163 B12R1.225 NC(C(=O)O)C1=CC=CC(F)=C1 Z5958 [0,1,0,0,1,0|0,0,0]=2 164 B12R1.253 O=C(O)C(F)(F)C1=CC=CC=N1 7845AC [0,1,0,0,1,0|2,0,0]=4 165 B12R1.478 CC(=O)C(CO)C1=CC=CC=C1 9433AB [0,1,0,0,1,0|2,0,0]=4 166 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 7562AH [0,1,0,0,1,0|0,0,0]=2 167 B12R1.478 N#CC(C(N)=O)C1=CC=CC=C1 2051AC [0,1,0,0,1,0|1,0,1]=4 168 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 6032AB [0,1,0,0,1,0|0,0,0]=2 169 B12R1.478 NC[C@H](C(=O)O)C1=CC=CC=C1 0283AA [0,1,0,0,1,0|0,0,0]=2 170 B14R1.337 CC1=CC=CC=C1C[C@H](N)CC(=O)O Z5882 [0,1,0,0,0,1|0,0,0]=2 171 B14R1.337 N[C@@H](CC(=O)O)CC1=C(Br)C=CC=C1 5367AB [0,1,0,0,0,1|0,0,0]=2 172 B14R1.337 N[C@@H](CC(=O)O)CC1=C(Cl)C=CC=C1 2444AB [0,1,0,0,0,1|0,0,0]=2 173 B14R1.337 N[C@H](CC(=O)O)CC1=CC=CC=C1F 1893AB [0,1,0,0,0,1|0,0,0]=2 174 B14R1.417 O=C(O)CC(Br)C(=O)C1=CC=CC=C1 5122AE [0,1,0,0,0,1|1,0,1]=4 175 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]=2 176 B14R1.698 CC1=CC=C(C[C@@H](N)CC(=O)O)C=C1 9329AA [0,1,0,0,0,1|0,0,0]=2 177 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(I)C=C1 Z5798 [0,1,0,0,0,1|0,0,0]=2 178 B14R1.161 NC(CCC1=C(Cl)C=CC=C1)C(=O)O 4749AA [0,1,0,0,0,1|0,0,0]=2 179 B14R1.415 O=C(NC(O)C(=O)O)C1=CC=CC=C1 8400AA [0,1,0,0,0,1|1,0,1]=4 180 B14R1.679 N[C@H](CCC1=CC=C(O)C=C1)C(=O)O Z5698 [0,1,0,0,0,1|0,0,0]=2 181 B14R1.4194 O=C(O)C(CO)NCC1=CC=CC=C1 5252AJ [0,1,0,0,0,1|1,0,0]=3 182 B14R1.4194 O=C(O)[C@@H](CO)NCC1=CC=CC=C1 1478AA [0,1,0,0,0,1|1,0,0]=3 183 B14R1.3 CCC1=CC=C(C[C@@H](N)C(=O)O)C=C1 Q377 [0,2,0,0,0,0|0,0,0]=2 184 B14R1.3 CCC1=CC=C(C[C@H](N)C(=O)O)C=C1 Q378 [0,2,0,0,0,0|0,0,0]=2 185 B14R1.3 CCC1=CC=C(OC(C)C(=O)O)C=C1 4722AF [0,2,0,0,0,0|2,0,0]=4 186 B14R1.3 N#CC1=CC=C(CC(N)C(=O)O)C=C1 1438AB [0,2,0,0,0,0|0,0,0]=2 187 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]=2 188 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]=2 189 B14R1.3 NCC1=CC=C(C[C@@H](N)C(=O)O)C=C1 4019AA [0,2,0,0,0,0|0,0,0]=2 190 B14R1.132 O=C(O)C(Br)C(Br)C1=CC=C(Cl)C=C1 1885AB [0,2,0,0,0,0|1,0,0]=3 191 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(F)C=C1 9277AA [0,2,0,0,0,0|0,0,0]=2 192 B14R1.134 COC(=O)[C@H](O)CC1=CC=C(F)C=C1 6850AJ [0,2,0,0,0,0|1,0,0]=3 193 B14R1.536 CCC(OC1=CC=C(Br)C=C1)C(=O)O 4302AD [0,2,0,0,0,0|2,0,0]=4 194 B14R1.536 CCC(OC1=CC=C(C)C=C1)C(=O)O 4301AD [0,2,0,0,0,0|2,0,0]=4 195 B14R1.536 CCC(OC1=CC=C(Cl)C=C1)C(=O)O 7737AC [0,2,0,0,0,0|2,0,0]=4 196 B14R1.536 CCC(OC1=CC=C(Cl)C=C1)C(=O)O U469 [0,2,0,0,0,0|2,0,0]=4 197 B14R1.536 CCC(OC1=CC=C(F)C=C1)C(=O)O 5180AD [0,2,0,0,0,0|2,0,0]=4 198 B14R1.536 CN[C@@H](CC1=CC=C(O)C=C1)C(=O)O Z5915 [0,2,0,0,0,0|0,0,0]=2 199 B14R1.536 NCC(CC1=CC=C(F)C=C1)C(=O)O 1990AL [0,2,0,0,0,0|0,0,0]=2 200 B14R1.686 CC1=CC=C(C[C@H](N)C(=O)O)C=C1C 7003AA [0,2,0,0,0,0|0,0,0]=2 201 B14R1.686 CC1=CC=C(OC(C)C(=O)O)C=C1C 8404AD [0,2,0,0,0,0|2,0,0]=4 202 B14R1.686 NC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 V0957 [0,2,0,0,0,0|0,0,0]=2 203 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]=2 204 B14R1.6049 CC(OC1=C(Br)C=C(Br)C=C1)C(=O)O 8317AE [0,2,0,0,0,0|2,0,0]=4 205 B14R1.6049 CC(OC1=CC=C(Br)C=C1Cl)C(=O)O 6207AE [0,2,0,0,0,0|2,0,0]=4 206 B14R1.6049 CC(OC1=CC=C(Cl)C=C1Br)C(=O)O 4629AF [0,2,0,0,0,0|2,0,0]=4 207 B14R1.6049 CC(OC1=CC=C(F)C=C1Cl)C(=O)O 6374AD [0,2,0,0,0,0|2,0,0]=4 208 B14R1.6049 CC1=C(OC(C)C(=O)O)C=CC(Cl)=C1 9826AF [0,2,0,0,0,0|2,0,0]=4 209 B14R1.6049 NC(CC1=C(F)C=C(F)C=C1)C(=O)O 3551AB [0,2,0,0,0,0|0,0,0]=2 210 B14R1.6049 NC(CC1=CC=C(O)C=C1O)C(=O)O 8625AB [0,2,0,0,0,0|0,0,0]=2 211 B14R1.6049 N[C@H](CC1=C(F)C=C(F)C=C1)C(=O)O 2401AB [0,2,0,0,0,0|0,0,0]=2 212 B14R1.7626 CC(C)(CC1=CC=C(F)C=C1)C(=O)O 0425AC [0,2,0,0,0,0|1,0,0]=3 213 B14R1.7626 CC1=CC=C(OC(C)(C)C(=O)O)C=C1 7932AD [0,2,0,0,0,0|2,0,0]=4 214 B14R1.60 CCNC(=O)C(N)CC1=CC=CC=C1 3092AD [0,2,0,0,0,0|1,0,0]=3 215 B14R1.60 CCOC(=O)C(N)CC1=NC=CC=C1 0821AA [0,2,0,0,0,0|1,0,0]=3 216 B14R1.135 COC(=O)C(O)CC1=CC=CC(O)=C1 6959AJ [0,2,0,0,0,0|1,0,0]=3 217 B14R1.1031 CNC(CC1=CC=CC=C1)C(=O)OC 7561AH [0,2,0,0,0,0|0,0,0]=2 218 B14R1.1031 COC(=O)C(CN)CC1=CC=CC=C1 X3980 [0,2,0,0,0,0|0,0,0]=2 219 B14R1.1107 COC(=O)[C@@](C)(N)CC1=CC=CC=C1 4416AH [0,2,0,0,0,0|0,0,0]=2 220 B14R1.75 COC1=CC(CC(N)C(=O)O)=CC=C1 1885AC [0,2,0,0,0,0|0,0,0]=2 221 B14R1.75 NCC1=CC(C[C@@H](N)C(=O)O)=CC=C1 3985AA [0,2,0,0,0,0|0,0,0]=2 222 B14R1.153 CC1=C(C)C(OC(C)C(=O)O)=CC=C1 7689AD [0,2,0,0,0,0|2,0,0]=4 223 B14R1.153 N[C@@H](CC1=CC=CC(Cl)=C1Cl)C(=O)O 3816AC [0,2,0,0,0,0|0,0,0]=2 224 B14R1.542 CCC(OC1=CC=CC(C)=C1)C(=O)O 8988AC [0,2,0,0,0,0|2,0,0]=4 225 B14R1.4257 CC1=CC(C)=CC(OC(C)C(=O)O)=C1 9640AE [0,2,0,0,0,0|2,0,0]=4 226 B14R1.4257 N[C@@H](CC1=CC(Cl)=CC(Cl)=C1)C(=O)O Z5644 [0,2,0,0,0,0|0,0,0]=2 227 B14R1.4257 N[C@@H](CC1=CC(I)=CC(I)=C1)C(=O)O W4347 [0,2,0,0,0,0|0,0,0]=2 228 B14R1.4404 CC(C)(OC1=CC=CC(Cl)=C1)C(=O)O 5621AD [0,2,0,0,0,0|2,0,0]=4 229 B14R1.4404 CC1=CC(OC(C)(C)C(=O)O)=CC=C1 X6073 [0,2,0,0,0,0|2,0,0]=4 230 B14R1.4404 C[C@](N)(CC1=CC(Br)=CC=C1)C(=O)O 0613AP [0,2,0,0,0,0|0,0,0]=2 231 B14R1.4474 CC1=CC(OC(C)C(=O)O)=C(Cl)C=C1 9452AD [0,2,0,0,0,0|2,0,0]=4 232 B14R1.4474 NC(CC1=C(F)C=CC(F)=C1)C(=O)O 3552AB [0,2,0,0,0,0|0,0,0]=2 233 B14R1.4474 NC(CC1=CC(Cl)=CC=C1Cl)C(=O)O 5445AA [0,2,0,0,0,0|0,0,0]=2 234 B14R1.4474 N[C@@H](CC1=CC(Cl)=CC=C1Cl)C(=O)O Z5967 [0,2,0,0,0,0|0,0,0]=2 235 B14R1.4474 N[C@H](CC1=CC(F)=CC=C1F)C(=O)O 2402AB [0,2,0,0,0,0|0,0,0]=2 236 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]=3 237 B14R1.550 CCC(OC1=CC=CC=C1C)C(=O)O 5182AD [0,2,0,0,0,0|2,0,0]=4 238 B14R1.3135 COC1=CC=CC=C1CC(N)C(=O)O 1465AB [0,2,0,0,0,0|0,0,0]=2 239 B14R1.3135 COC1=CC=CC=C1C[C@H](N)C(=O)O 0028AB [0,2,0,0,0,0|0,0,0]=2 240 B14R1.3135 COC1=CC=CC=C1OC(C)C(=O)O 8876AE [0,2,0,0,0,0|2,0,0]=4 241 B14R1.3135 N#CC1=C(C[C@H](N)C(=O)O)C=CC=C1 E553 [0,2,0,0,0,0|0,0,0]=2 242 B14R1.5882 CC(C)(OC1=C(Cl)C=CC=C1)C(=O)O 5623AD [0,2,0,0,0,0|2,0,0]=4 243 B14R1.5882 CC1=C(OC(C)(C)C(=O)O)C=CC=C1 5117AE [0,2,0,0,0,0|2,0,0]=4 244 B14R1.5971 CC1=CC=CC(C)=C1CC(N)C(=O)O 5976AA [0,2,0,0,0,0|0,0,0]=2 245 B14R1.5971 CC1=CC=CC(C)=C1OC(C)C(=O)O 3013AD [0,2,0,0,0,0|2,0,0]=4 246 B14R1.5971 NC(CC1=C(Cl)C=CC=C1Cl)C(=O)O 5446AA [0,2,0,0,0,0|0,0,0]=2 247 B14R1.980 [N-]=[N+]=N[C@@H](CC1=CC=CC=C1)C(=O)O 0267AQ [0,2,0,0,0,0|0,0,1]=3 248 B12R2.18 O[C@H]1C2=C(C=CC=C2)C[C@@H]1Br 0883AA [1,0,0,1,0,0|1,0,1]=4 249 B12R2.24 NC1CCC2=C(C=CC=C2)C1 W3803 [1,0,0,1,0,0|1,0,1]=4 250 B12R2.24 NC1CCC2=CC=CC=C2C1 3016AB [1,0,0,1,0,0|1,0,1]=4 251 B12R2.24 NC1CNC2=CC=CC=C2C1 5514AB [1,0,0,1,0,0|1,0,1]=4 252 B12R2.24 NC1COC2=C(C=CC=C2)C1 9046AB [1,0,0,1,0,0|0,0,1]=3 253 B12R2.27 OCC1CC1C2=CC=CC=C2 9271AB [1,0,0,1,0,0|1,0,1]=4 254 B12R2.27 OC[C@H]1O[C@@H]1C2=CC=CC=C2 7395AJ [1,0,0,1,0,0|1,0,1]=4 255 B12R2.94 NC1(CC2=CC=CC=C2)CC1 8899AD [1,0,0,1,0,0|1,0,1]=4 256 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 8284AB [1,0,0,1,0,0|1,0,0]=3 257 B12R2.3190 O=C(O)C1CC2=C1C=CC=C2 K945 [1,0,0,1,0,0|0,0,0]=2 258 B12R2.1354 O=C(O)C1CC1C2=CC=CS2 1904AJ [0,0,0,1,1,0|2,0,0]=4 259 B14R2.19 O=C1CC(CC2=CC=CC=C2)CN1 9516AD [0,0,0,1,0,1|2,0,0]=4 260 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CO1 7199AA [0,0,0,1,0,1|1,1,0]=4 261 B14R2.768 CC(=O)NC1CC2=CC=CC=C2C1 6769AA [0,0,0,1,0,1|2,0,0]=4 262 B14R2.768 O=C(O)C=C1CC2=C(C=CC=C2)C1 4153AJ [0,0,0,1,0,1|1,0,1]=4 263 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)N1 W5438 [0,0,0,1,0,1|0,0,2]=4 264 B14R2.768 O=C(O)CN1CC2=CC=CC=C2C1 4606AB [0,0,0,1,0,1|2,0,0]=4 265 B14R2.260 CC1N=C(C2=CC=CC=C2)OC1=O 2770AL [0,0,0,1,0,1|1,0,1]=4 266 B14R2.741 NC1CCC2=CC=CC=C2NC1=O 2131AJ [0,0,0,1,0,1|1,0,0]=3 267 B14R2.741 N[C@@H]1CCC2=C(C=CC=C2)NC1=O 8993AH [0,0,0,1,0,1|1,0,0]=3 268 B14R2.781 NC(=O)C1CC2=CC=CC=C2CN1 2219AA [0,0,0,1,0,1|2,0,0]=4 269 B14R2.781 NC(=O)C1CCC2=C(C=CC=C2)N1 3193AF [0,0,0,1,0,1|1,0,0]=3 270 B14R2.781 NC(=O)C1CNC2=CC=CC=C2O1 Y7462 [0,0,0,1,0,1|2,0,0]=4 271 B14R2.781 O=C(O)C1CCC2=NC=CC=C2C1 4843AA [0,0,0,1,0,1|2,0,0]=4 272 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 9090AH [0,0,0,1,0,1|0,0,0]=2 273 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=C2)N1 8936AH [0,0,0,1,0,1|0,0,0]=2 274 B14R2.4529 NC1=CC2=C(C=C1)NC(C(=O)O)=C2 X6436 [0,1,0,1,0,0|0,0,2]=4 275 B14R2.4529 O=C(O)C1CC2=CC(Cl)=CC=C2O1 4126AB [0,1,0,1,0,0|1,0,0]=3 276 B14R2.4529 O=C(O)C1CC2=CC(O)=CC=C2O1 2685AA [0,1,0,1,0,0|1,0,0]=3 277 B14R2.8239 NC1=CC2=C(C=C(O)C=C2)OC1=O W8495 [0,1,0,1,0,0|0,0,2]=4 278 B14R2.30 O=C1CCCC1CC2=CC=CC=C2 2822AB [0,1,0,1,0,0|2,0,0]=4 279 B14R2.958 COC(=O)C1OC1C2=CC=CC=C2 1834AE [0,1,0,1,0,0|1,0,0]=3 280 B14R2.4476 O=C(O)C1CC1C2=CC(Cl)=CC=C2 5208AJ [0,1,0,1,0,0|1,0,0]=3 281 B14R2.7969 O=C(O)C1CC2=C(C1)C(O)=CC=C2 8641AA [0,1,0,1,0,0|1,0,0]=3 282 B14R2.450 O=C(O)C1=C(Cl)C2=CC=CC=C2N1 9185AD [0,1,0,1,0,0|0,0,2]=4 283 B14R2.789 NC1(C(=O)O)CC2=CC=CC=C2C1 2618AB [0,1,0,1,0,0|0,0,0]=2 284 B14R2.5443 O=C(O)C1CC1C2=CC=CC=C2Cl 5190AJ [0,1,0,1,0,0|1,0,0]=3 285 B10R1.15 CCC(N)C1=CC=CC=C1 8188AD [1,0,0,0,1,0|1,0,1]=4 286 B10R1.15 C[C@H](CO)C1=CC=CC=C1 4835AB [1,0,0,0,1,0|1,0,1]=4 287 B10R1.15 NC(CF)C1=CC=CC=C1 0514AQ [1,0,0,0,1,0|1,0,1]=4 288 B10R1.15 NC(CO)C1=CC=CN=C1 W5825 [1,0,0,0,1,0|1,0,1]=4 289 B10R1.15 NC(CO)C1=CC=NC=C1 1467AJ [1,0,0,0,1,0|1,0,1]=4 290 B10R1.66 O=C(O)CCC1=CC=CN1 X6372 [1,0,0,0,1,0|1,0,0]=3 291 B10R1.66 O=C(O)CCC1=CC=NO1 6864AC [1,0,0,0,1,0|2,0,0]=4 292 B10R1.66 O=C(O)CCC1=CNC=N1 Y6981 [1,0,0,0,1,0|2,0,0]=4 293 B10R1.66 O=C(O)CCN1C=CN=C1 W4087 [1,0,0,0,1,0|2,0,0]=4 294 B10R1.66 O=C(O)CNC1=CSC=C1 Z5612 [1,0,0,0,1,0|2,0,0]=4 295 B10R1.23 CC(C(=O)O)C1=CC=CS1 7991AB [0,0,0,0,2,0|2,0,0]=4 296 B10R1.23 CC(C(=O)O)N1C=CC=C1 9754AB [0,0,0,0,2,0|2,0,0]=4 297 B10R1.23 NC(C(=O)O)C1=COC=C1 X3278 [0,0,0,0,2,0|1,0,0]=3 298 B10R1.23 NC(C(=O)O)C1=CSC=C1 4911AB [0,0,0,0,2,0|1,0,0]=3 299 B10R1.23 NC(C(=O)O)C1=CSC=C1 5423AJ [0,0,0,0,2,0|1,0,0]=3 300 B12R1.252 CC(O)CNCC1=CC=CC=C1 2537AB [1,0,0,0,0,1|1,0,1]=4 301 B12R1.252 O=C(O)CCCC1=CC=CC=N1 0690AA [1,0,0,0,0,1|1,0,0]=3 302 B12R1.252 O=C(O)CCCC1=CC=NC=C1 8657AE [1,0,0,0,0,1|1,0,0]=3 303 B12R1.252 O=C(O)CNCC1=NC=CC=C1 Z2473 [1,0,0,0,0,1|1,0,0]=3 304 B14R1.818 NC(CCC1=CC=CC=C1)CC(=O)O 5803AJ [0,0,0,0,0,2|0,0,0]=2 305 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O 3819AB [0,0,0,0,0,2|0,0,0]=2 306 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O 4281AB [0,0,0,0,0,2|0,0,0]=2 307 B14R1.6449 N[C@H](CSCC1=CC=CC=C1)C(=O)O 1478AB [0,0,0,0,0,2|0,0,0]=2