0 B12R1.43 CC(=O)\C(C)=C\C1=CC=CC=C1 9899AA [0,0,0,0,0,0|2,0,1]=3 1 B12R1.43 CC(CC1=CC=NC=N1)C(=O)O 1360AH [0,0,0,0,0,0|3,0,1]=4 2 B12R1.43 O=C(O)[C@@H](Cl)CC1=CC=CC=C1 Z6054 [0,0,0,0,0,0|1,0,1]=2 3 B11R1.40 O=CC(=O)CC1=CC=CC=C1 X3517 [1,0,0,0,0,0|0,0,0]=1 4 B11R1.40 O=C\C(Cl)=C\C1=CC=CC=C1 Z3501 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.91 CC(=S)OCC1=CC=CC=C1 S494 [1,0,0,0,0,0|2,1,0]=4 6 B11R1.91 O=C(O)C=CC1=CC=CC=C1 9667AL [1,0,0,0,0,0|0,0,1]=2 7 B11R1.91 O=C(O)CNC1=CC=NC=C1 7631AE [1,0,0,0,0,0|2,0,1]=4 8 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z3284 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.91 O=C([O-])COC1=CC=CC=C1 I578 [1,0,0,0,0,0|1,0,2]=4 10 B13R1.133 O=C(O)C(O)CC1=CC=C(O)C=C1 3229AB [0,1,0,0,0,0|0,0,2]=3 11 B13R1.133 O=C(O)C(O)CC1=CC=C(O)C=C1 7792AL [0,1,0,0,0,0|0,0,2]=3 12 B13R1.135 NC(CC1=CC=CC=C1)C(=O)OC Y1503 [0,1,0,0,0,0|1,0,1]=3 13 B13R1.135 N[C@H](CC1=CC=CC=C1)C(=O)OC Y1718 [0,1,0,0,0,0|1,0,1]=3 14 B13R1.148 N[C@H](CC1=CC=CC(Cl)=C1)C(=O)O 6300AB [0,1,0,0,0,0|1,0,1]=3 15 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@H](N)C(=O)O 8578AH [0,1,0,0,0,0|1,0,1]=3 16 B13R1.152 C[C@H](C1=CC=CC=C1)[C@H](N)C(=O)O 8576AH [0,1,0,0,0,0|1,0,1]=3 17 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O V2385 [0,1,0,0,0,0|0,0,2]=3 18 B13R1.152 N[C@H](C1=CC=CC=C1)[C@H](O)C(=O)O Y1640 [0,1,0,0,0,0|0,0,2]=3 19 B13R1.202 CC1=C(OC(C)C(=O)O)C=CC=C1 8974AE [0,1,0,0,0,0|2,0,1]=4 20 B13R1.202 N[C@@H](CC1=C(F)C=CC=C1)C(=O)O 7288AH [0,1,0,0,0,0|1,0,1]=3 21 B13R1.418 CCC(OC1=CC=CC=C1)C(=O)O 4061AD [0,1,0,0,0,0|2,0,1]=4 22 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(N)=O Y2969 [0,1,0,0,0,0|2,0,1]=4 23 B13R2.369 O=C1OC2=CC=CC=C2N=C1Cl 2593AB [0,0,0,1,0,0|2,0,0]=3 24 B13R2.435 O=C(Cl)C1=CC2=CC=CC=C2S1 Y8996 [0,0,0,1,0,0|1,1,1]=4 25 B13R2.435 O=C(O)C1=NC2=CC=CC=C2O1 0986AB [0,0,0,1,0,0|1,0,1]=3 26 B11R1.35 N[C@@H](CC1=CC=CN1)C(=O)O 0809AC [0,0,0,0,1,0|2,0,1]=4 27 B11R1.35 N[C@@H](CC1=CNC=C1)C(=O)O 6601AB [0,0,0,0,1,0|2,0,1]=4 28 B11R1.36 C=C(C(C)=O)C1=CC=CC=C1 Y8709 [0,0,0,0,1,0|2,0,0]=3 29 B11R1.36 FC(F)=C(F)C1=CC=CC=C1 3823AE [0,0,0,0,1,0|3,0,0]=4 30 B11R1.36 O=C(O)C(Br)C1=CC=CN=C1 0971AD [0,0,0,0,1,0|2,0,1]=4 31 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 8062AF [0,0,0,0,1,0|0,0,2]=3 32 B13R1.348 CC(=O)NC(=O)NC1=CC=CC=C1 8081AF [0,0,0,0,0,1|2,0,0]=3 33 B13R1.348 C[C@@H](CC(=O)O)NC1=CC=CC=C1 9248AJ [0,0,0,0,0,1|2,0,1]=4 34 B13R1.348 N[C@H](CC(=O)O)CC1=CN=CC=C1 2495AB [0,0,0,0,0,1|2,0,1]=4 35 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 9415AJ [0,0,0,0,0,1|0,0,2]=3 36 B13R1.351 [C@H](C)(OCC1=CC=CC=C1)C(=O)O 0640AP [0,0,0,0,0,1|1,0,1]=3 37 B10R1.17 C=C\C=C\C1=CC=CC=C1 1673AL [2,0,0,0,0,0|1,0,1]=4 38 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 9362AB [2,0,0,0,0,0|1,0,1]=4 39 B10R1.18 OB(O)CC1=CC=CC=C1 X0808 [2,0,0,0,0,0|1,0,1]=4 40 B10R1.18 OC(=S)CC1=CC=NC=C1 L775 [2,0,0,0,0,0|1,1,0]=4 41 B12R1.32 O=C=NC(=O)OC1=CC=CC=C1 X3604 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.371 N\C(CC1=C(Cl)C=CC=C1)=N/O 3353AF [1,1,0,0,0,0|2,0,0]=4 43 B12R1.21 NC(=O)\C=C\C1=CC=C(O)C=C1 W2119 [1,1,0,0,0,0|1,0,1]=4 44 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 X5622 [1,1,0,0,0,0|0,0,1]=3 45 B12R1.27 CC(\C=C\C1=CC=CC=C1)=N/O 5660AF [1,1,0,0,0,0|1,0,1]=4 46 B12R1.27 NCC(=O)OCC1=CC=CC=C1 3139AL [1,1,0,0,0,0|2,0,0]=4 47 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 7150AJ [1,1,0,0,0,0|2,0,0]=4 48 B12R1.125 CC(=O)OCC1=C(C)C=CC=C1 5689AF [1,1,0,0,0,0|2,0,0]=4 49 B12R1.125 CC1=CC=CC=C1NCC(=O)O 7454AD [1,1,0,0,0,0|1,0,1]=4 50 B12R1.125 NC1=C(\C=C\C(=O)O)C=CC=C1 8179AF [1,1,0,0,0,0|0,0,1]=3 51 B12R1.125 O=C(Cl)OCC1=CC=CC=C1Cl 5179AB [1,1,0,0,0,0|2,0,0]=4 52 B12R1.20 NC(C(=O)O)C1=CC=C(I)C=C1 3076AB [0,1,0,0,1,0|1,0,1]=4 53 B12R1.20 NC1=CC=C([C@@H](N)C(=O)O)C=C1 4448AB [0,1,0,0,1,0|1,0,1]=4 54 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 5973AA [0,1,0,0,1,0|0,0,2]=4 55 B12R1.124 NC(C(=O)O)C1=CC=CC=C1O W4840 [0,1,0,0,1,0|1,0,1]=4 56 B12R1.225 NC1=CC(C(N)C(=O)O)=CC=C1 Z5992 [0,1,0,0,1,0|1,0,1]=4 57 B12R1.225 O=C(O)C(O)C1=CC(Br)=CC=C1 4295AE [0,1,0,0,1,0|0,0,2]=4 58 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 3965AL [0,1,0,0,1,0|0,0,2]=4 59 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 1076AL [0,1,0,0,1,0|1,0,1]=4 60 B12R1.478 CC[C@@H](C(=O)O)C1=CC=CC=C1 1172AL [0,1,0,0,1,0|1,0,1]=4 61 B12R1.478 CC[C@H](C(=O)O)C1=CC=CC=C1 1255AL [0,1,0,0,1,0|1,0,1]=4 62 B14R1.337 N[C@H](CC(=O)O)CC1=CC=CC=C1Cl 2521AB [0,1,0,0,0,1|1,0,1]=4 63 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O V2360 [0,1,0,0,0,1|1,0,1]=4 64 B14R1.5978 CC(=O)CC(=O)NC1=CC(O)=CC=C1 1143AB [0,1,0,0,0,1|2,0,0]=4 65 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 7598AH [0,2,0,0,0,0|1,0,1]=4 66 B14R1.132 CC(C(=O)O)C(N)C1=CC=C(O)C=C1 2129AJ [0,2,0,0,0,0|1,0,1]=4 67 B14R1.132 N[C@H](C1=CC=C(F)C=C1)[C@@H](O)C(=O)O 8124AB [0,2,0,0,0,0|0,0,2]=4 68 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 R935 [0,2,0,0,0,0|1,0,1]=4 69 B14R1.536 CC1=CC=C(\C=C(/C#N)C(=O)O)C=C1 6886AD [0,2,0,0,0,0|1,0,1]=4 70 B14R1.536 CN[C@@H](CC1=CC=C(O)C=C1)C(=O)O 0568AP [0,2,0,0,0,0|1,0,1]=4 71 B14R1.536 CN[C@H](CC1=CC=C(O)C=C1)C(=O)O Z5694 [0,2,0,0,0,0|1,0,1]=4 72 B14R1.536 N#C\C(=C/C1=CC=C(Cl)C=C1)C(=O)O 6885AD [0,2,0,0,0,0|1,0,1]=4 73 B14R1.686 NC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 5288AH [0,2,0,0,0,0|1,0,1]=4 74 B14R1.7626 CC(N)(CC1=CC=C(Br)C=C1)C(=O)O 1477AJ [0,2,0,0,0,0|1,0,1]=4 75 B14R1.7626 C[C@@](N)(CC1=CC=C(Br)C=C1)C(=O)O 8549AH [0,2,0,0,0,0|1,0,1]=4 76 B14R1.7626 C[C@@](N)(CC1=CC=C(I)C=C1)C(=O)O 0602AP [0,2,0,0,0,0|1,0,1]=4 77 B14R1.7626 C[C@](N)(CC1=CC=C(Br)C=C1)C(=O)O 9202AH [0,2,0,0,0,0|1,0,1]=4 78 B14R1.7626 C[C@](N)(CC1=CC=C(I)C=C1)C(=O)O 0617AP [0,2,0,0,0,0|1,0,1]=4 79 B14R1.153 NC(CC1=C(Cl)C(Cl)=CC=C1)C(=O)O 5444AA [0,2,0,0,0,0|1,0,1]=4 80 B14R1.4257 NC(CC1=CC(O)=CC(O)=C1)C(=O)O 8723AB [0,2,0,0,0,0|1,0,1]=4 81 B14R1.4257 N[C@@H](CC1=CC(O)=CC(O)=C1)C(=O)O 0059AB [0,2,0,0,0,0|1,0,1]=4 82 B14R1.4404 C[C@@](N)(CC1=CC(Br)=CC=C1)C(=O)O 0597AP [0,2,0,0,0,0|1,0,1]=4 83 B14R1.4404 C[C@@](N)(CC1=CC(F)=CC=C1)C(=O)O 0598AP [0,2,0,0,0,0|1,0,1]=4 84 B14R1.4404 C[C@@](N)(CC1=CC(I)=CC=C1)C(=O)O 0599AP [0,2,0,0,0,0|1,0,1]=4 85 B14R1.4404 C[C@](N)(CC1=CC(I)=CC=C1)C(=O)O 0615AP [0,2,0,0,0,0|1,0,1]=4 86 B14R1.5882 C[C@@](N)(CC1=CC=CC=C1Br)C(=O)O 0595AP [0,2,0,0,0,0|1,0,1]=4 87 B14R1.5882 C[C@](N)(CC1=CC=CC=C1Br)C(=O)O 0611AP [0,2,0,0,0,0|1,0,1]=4 88 B12R2.18 O=C1OC2=C(C=CC=C2)C1=O 6525AJ [1,0,0,1,0,0|1,0,0]=3 89 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2S1 Y5375 [0,0,0,1,0,1|1,1,0]=4 90 B14R2.781 O=C(O)C1=CC=C2C=CC=CC2=C1 O949 [0,0,0,1,0,1|1,0,1]=4 91 B14R2.781 O=C(O)C1CCC2=C(C=CC=C2)N1 6354AB [0,0,0,1,0,1|1,0,1]=4 92 B14R2.4402 NC1=CC=C(C2CC2C(=O)O)C=C1 1129AJ [0,1,0,1,0,0|1,0,1]=4 93 B14R2.4529 O=C(O)C1=NC2=C(C=C(Br)C=C2)S1 3109AA [0,1,0,1,0,0|1,1,0]=4 94 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Br)=C2)S1 3157AJ [0,1,0,1,0,0|1,1,0]=4 95 B14R2.972 COC(=O)[C@@H]1CC2=CC=CC=C2N1 2982AH [0,1,0,1,0,0|1,0,1]=4 96 B14R2.8188 O=C1NC2=CC=CC=C2C(O)=C1Cl 9463AJ [0,1,0,1,0,0|2,0,0]=4 97 B14R2.7969 O=C(O)C1=NC2=C(S1)C(Br)=CC=C2 3684AJ [0,1,0,1,0,0|1,1,0]=4 98 B14R2.450 CC1=C(C(=O)O)SC2=CC=CC=C21 Z5504 [0,1,0,1,0,0|0,1,1]=4 99 B14R2.789 NC1(C(=O)O)CC2=C(C=CC=C2)C1 C150 [0,1,0,1,0,0|1,0,1]=4 100 B10R1.15 NCC(=O)C1=CC=CC=C1 L191 [1,0,0,0,1,0|1,0,1]=4 101 B10R1.23 O=C(O)C(=O)C1=CC=CO1 Y3293 [0,0,0,0,2,0|1,0,0]=3 102 B12R1.252 O=C(O)CCNC1=NC=CC=C1 1093AA [1,0,0,0,0,1|1,0,1]=4 103 B14R1.818 NC(CCC1=CC=CC=C1)CC(=O)O 5803AJ [0,0,0,0,0,2|1,0,1]=4 104 B14R1.6449 N[C@H](CCCC1=CC=CC=C1)C(=O)O Y6718 [0,0,0,0,0,2|1,0,1]=4