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N[C@@H](CO)COCC1=CC=CC=C1 8688AB [0,1,0,0,0,0|2,0,1]=4 16 B13R1.3523 CC(C)(O)CCSC1=CC=CC=C1 Z2584 [0,1,0,0,0,0|2,0,1]=4 17 B13R1.3523 O=S(=O)(Cl)CCCC1=CC=CC=C1 7027AE [0,1,0,0,0,0|1,0,1]=3 18 B13R2.10 O=C1CN=C(C2=CC=CC=C2)O1 3450AA [0,0,0,1,0,0|1,0,1]=3 19 B13R2.31 O=C1CN(CC2=CC=CC=C2)C1 7834AA [0,0,0,1,0,0|2,0,0]=3 20 B13R2.72 O=C(O)[C@H]1NCC2=C1C=CC=C2 9220AH [0,0,0,1,0,0|1,0,0]=2 21 B11R1.91 CC(=S)OCC1=CC=CC=C1 S494 [0,0,0,0,1,0|2,1,0]=4 22 B11R1.91 C[C@@H](N)CCC1=CC=CC=C1 5944AC [0,0,0,0,1,0|2,0,1]=4 23 B11R1.91 N=C(N)COC1=CC=CC=C1 5598AJ [0,0,0,0,1,0|3,0,0]=4 24 B11R1.91 NC(=S)CSC1=CC=CC=C1 Y9579 [0,0,0,0,1,0|2,1,0]=4 25 B11R1.91 O=C(O)C=CC1=CC=CC=C1 9667AL [0,0,0,0,1,0|0,0,2]=3 26 B11R1.91 O=C(O)CNC1=CC=NC=C1 7631AE [0,0,0,0,1,0|2,0,0]=3 27 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z3284 [0,0,0,0,1,0|2,0,0]=3 28 B11R1.91 O=C([O-])COC1=CC=CC=C1 I578 [0,0,0,0,1,0|1,0,1]=3 29 B11R1.91 O=[N+]([O-])CCC1=CC=CN=C1 Y5918 [0,0,0,0,1,0|2,0,1]=4 30 B10R1.17 Cl[Mg]CCC1=CC=CC=C1 8993AJ [2,0,0,0,0,0|2,0,0]=4 31 B10R1.17 NNCCC1=CC=CC=C1 5405AE [2,0,0,0,0,0|2,0,0]=4 32 B12R1.1 OCCNCC1=CC=C(F)C=C1 W4569 [1,1,0,0,0,0|1,0,1]=4 33 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 X6055 [1,1,0,0,0,0|1,0,1]=4 34 B12R1.30 CC(NCCO)C1=CC=CC=C1 7619AE [1,1,0,0,0,0|1,0,1]=4 35 B12R1.267 C=CCNCC1=CC=CC=C1F 6954AE [1,1,0,0,0,0|2,0,0]=4 36 B12R1.267 OCCNCC1=CC=CC=C1F 9917AB [1,1,0,0,0,0|1,0,1]=4 37 B12R1.21 NC(=O)CSC1=CC=C(Cl)C=C1 9791AD [0,1,0,0,1,0|2,0,0]=4 38 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 X5622 [0,1,0,0,1,0|0,0,2]=4 39 B12R1.21 O=[N+]([O-])CCC1=CC=C(F)C=C1 Y6522 [0,1,0,0,1,0|1,0,1]=4 40 B12R1.43 CC(CC1=CC=NC=N1)C(=O)O 1360AH [0,1,0,0,1,0|2,0,0]=4 41 B12R1.43 O=C(O)[C@@H](Cl)CC1=CC=CC=C1 Z6054 [0,1,0,0,1,0|0,0,0]=2 42 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 7150AJ [0,1,0,0,1,0|2,0,0]=4 43 B12R1.107 NC(=O)CC(N)C1=CC=CN=C1 2028AC [0,1,0,0,1,0|2,0,0]=4 44 B12R1.125 CC(=O)OCC1=C(C)C=CC=C1 5689AF [0,1,0,0,1,0|2,0,0]=4 45 B12R1.125 CC1=CC=CC=C1NCC(=O)O 7454AD [0,1,0,0,1,0|1,0,0]=3 46 B12R1.125 NC1=C(\C=C\C(=O)O)C=CC=C1 8179AF [0,1,0,0,1,0|0,0,2]=4 47 B12R1.125 O=C(Cl)OCC1=CC=CC=C1Cl 5179AB [0,1,0,0,1,0|2,0,0]=4 48 B12R1.226 O=[N+]([O-])CCC1=CC(F)=CC=C1 Y5848 [0,1,0,0,1,0|1,0,1]=4 49 B14R1.148 O=C(O)CCCOC1=CC=CC(Cl)=C1 5422AH [0,1,0,0,0,1|0,0,0]=2 50 B14R1.818 NC(CCC1=CC=CC=C1)CC(=O)O 5803AJ [0,1,0,0,0,1|0,0,0]=2 51 B14R1.6449 N[C@H](CCCC1=CC=CC=C1)C(=O)O Y6718 [0,1,0,0,0,1|0,0,0]=2 52 B14R1.417 CN(CC(=O)O)C(=O)C1=CC=CC=C1 V1426 [0,2,0,0,0,0|1,0,1]=4 53 B14R1.337 N[C@H](CC(=O)O)CC1=CC=CC=C1Cl 2521AB [0,2,0,0,0,0|0,0,0]=2 54 B14R1.425 C[C@H](SC1=CC=CC=C1)[C@H](N)C(=O)O Q372 [0,2,0,0,0,0|1,0,0]=3 55 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O V2360 [0,2,0,0,0,0|0,0,0]=2 56 B14R1.1485 CC(=O)NC(C)(C)CC1=CC=CC=C1 8067AB [0,2,0,0,0,0|2,0,0]=4 57 B14R1.4 N#CC1=CC=C(OCCC(=O)O)C=C1 5656AJ [0,2,0,0,0,0|1,0,0]=3 58 B14R1.520 CCCC(=O)OCCC1=CC=CC=C1 P445 [0,2,0,0,0,0|2,0,0]=4 59 B14R1.520 CCOC(=O)CCOC1=CC=CC=C1 R858 [0,2,0,0,0,0|1,0,0]=3 60 B12R2.27 OC[C@@H]1C[C@@H]1C2=CN=CC=C2 W6480 [1,0,0,1,0,0|1,0,1]=4 61 B12R2.1081 O=C1CCCC2=C1C=NC=C2 1098AB [1,0,0,1,0,0|1,0,0]=3 62 B12R2.1081 O=C1CNCC2=C1C=CC=C2 1368AJ [1,0,0,1,0,0|1,0,0]=3 63 B12R2.1081 O[C@@H]1CCCC2=C1C=CC=C2 4916AL [1,0,0,1,0,0|0,0,1]=3 64 B12R2.24 O=C1CCC2=CC=CN=C2C1 3036AJ [0,0,0,1,1,0|2,0,0]=4 65 B14R2.2 O=C(O)CC1CCC2=C1C=CC=C2 1709AL [0,0,0,1,0,1|0,0,0]=2 66 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CO1 W1459 [0,0,0,1,0,1|1,1,0]=4 67 B14R2.21 O=C1CCCC(C2=CC=CC=N2)C1 8708AC [0,0,0,1,0,1|2,0,0]=4 68 B14R2.21 O[C@H]1CCO[C@@H](C2=CC=CC=C2)C1 2706AC [0,0,0,1,0,1|1,0,1]=4 69 B14R2.768 CC(=O)OC1CC2=C(C=CC=C2)C1 5876AB [0,1,0,1,0,0|2,0,0]=4 70 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2S1 Y5375 [0,1,0,1,0,0|1,0,1]=4 71 B14R2.781 O=C(O)C1CCC2=C(C=CC=C2)N1 6354AB [0,1,0,1,0,0|0,0,0]=2 72 B14R2.28454 O=C1CCCC2=C(C=CC=C2F)N1 3375AH [0,1,0,1,0,0|1,0,0]=3 73 B14R2.741 N[C@H]1CCC2=CC=CC=C2NC1=O 8694AH [0,1,0,1,0,0|1,0,0]=3 74 B14R2.4402 NC1=CC=C(C2CC2C(=O)O)C=C1 1129AJ [0,1,0,1,0,0|0,0,0]=2 75 B14R2.4514 CN1C(=O)CC[C@H]1C2=CN=CC=C2 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