0 B13R1.718 CCC(=O)COCC1=CC=CC=C1 DY686515 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.718 COC(=O)CCCC1=CC=CC=C1 DY538413 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.718 COC(=O)CCNC1=CC=CC=C1 NO22398 [0,0,0,0,0,0|3,0,0]=3 3 B13R1.718 COC(=O)CCOC1=CC=CC=C1 DY789279 [0,0,0,0,0,0|3,0,0]=3 4 B13R1.718 COC(=O)C\N=C\C1=CC=CC=C1 DY687037 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.8 CCCCCCC1=CC=NC=C1 NO17088 [1,0,0,0,0,0|2,0,1]=4 6 B12R1.8 CCCCCCC1=NC=CC=C1 DY712183 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.8 CCNCCCC1=CC=CC=C1 DY610544 [1,0,0,0,0,0|2,0,0]=3 8 B12R1.252 CC(=O)NCCC1=CC=CC=C1 DY459522 [1,0,0,0,0,0|1,0,0]=2 9 B12R1.252 N=C(N)CCCC1=CC=CC=C1 DY608227 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 DY537141 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.252 O=C(O)CCCC1=CC=NC=C1 DY503007 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.252 O=C(O)CCCC1=NC=CC=C1 NO12802 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.252 O=C(O)CNCC1=CC=CC=C1 NO21182 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.252 O=C(O)COCC1=CC=CC=C1 NO14115 [1,0,0,0,0,0|3,0,0]=4 15 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 NO11453 [0,1,0,0,0,0|2,0,0]=3 16 B14R1.520 CCOC(=O)CCNC1=NC=CC=C1 NO11737 [0,1,0,0,0,0|3,0,0]=4 17 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 DY461124 [0,1,0,0,0,0|2,0,0]=3 18 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 NO15465 [0,1,0,0,0,0|2,0,0]=3 19 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 NO16805 [0,1,0,0,0,0|1,0,0]=2 20 B14R1.756 COC(=O)C(N)CCc1ccccc1 DY439295 [0,1,0,0,0,0|2,0,0]=3 21 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 NO22300 [0,0,0,1,0,0|2,0,0]=3 22 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 NO10014 [0,0,0,1,0,0|2,0,0]=3 23 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 NO10013 [0,0,0,1,0,0|2,0,0]=3 24 B14R2.68 C[C@H]1CN[C@@H](C2=CC=CC=C2)CO1 DY620882 [0,0,0,1,0,0|2,0,1]=4 25 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 DY556521 [0,0,0,1,0,0|1,0,0]=2 26 B14R2.68 O=C1CCC(C2=CC=CC=C2)CN1 DY639216 [0,0,0,1,0,0|1,0,0]=2 27 B14R2.68 O=C1CCN(C2=CC=NC=C2)CC1 NO13579 [0,0,0,1,0,0|3,0,0]=4 28 B14R2.68 O=C1COC(C2=CC=CC=C2)CN1 NO13118 [0,0,0,1,0,0|2,0,0]=3 29 B14R2.279 NC1C(=O)NCCC2=C1C=CC=C2 DY459624 [0,0,0,1,0,0|2,0,0]=3 30 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 DY524049 [0,0,0,0,1,0|0,0,2]=3 31 B12R1.27 CCC(C)NCc1ccccc1 DY555507 [0,0,0,0,1,0|2,0,1]=4 32 B12R1.27 COC(=O)CCC1=CC=CC=C1 DY433965 [0,0,0,0,1,0|1,0,0]=2 33 B12R1.27 COC(=O)CCC1=CC=NC=C1 DY662376 [0,0,0,0,1,0|2,0,0]=3 34 B12R1.27 COC(=O)CCC1=NC=CC=C1 DY713929 [0,0,0,0,1,0|2,0,0]=3 35 B12R1.27 COC(=O)CNC1=CC=CC=C1 DY543123 [0,0,0,0,1,0|2,0,0]=3 36 B12R1.27 NCC(F)CCC1=CC=CC=C1 DY527373 [0,0,0,0,1,0|2,0,1]=4 37 B12R1.27 NNC(=O)OCC1=CC=CC=C1 NO20449 [0,0,0,0,1,0|2,0,0]=3 38 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 NO19947 [0,0,0,0,1,0|1,0,0]=2 39 B12R1.27 O=C(CO)OCC1=CC=CC=C1 DY547407 [0,0,0,0,1,0|1,0,0]=2 40 B11R1.28 BrCCCCC1=CC=CC=C1 DY519843 [2,0,0,0,0,0|1,0,1]=4 41 B11R1.28 BrCCOCC1=CC=CC=C1 NO10998 [2,0,0,0,0,0|1,0,1]=4 42 B11R1.28 CCCCCC1=CC=CC=C1 DY745567 [2,0,0,0,0,0|0,0,1]=3 43 B11R1.28 CCO\C=N\C1=CC=CC=C1 DY566853 [2,0,0,0,0,0|1,0,1]=4 44 B11R1.28 NCCOCC1=CC=CC=C1 NO20892 [2,0,0,0,0,0|1,0,1]=4 45 B11R1.28 O=CCCCC1=CC=CN=C1 DY657979 [2,0,0,0,0,0|2,0,0]=4 46 B11R1.28 OCCCCC1=CC=CC=C1 NO11170 [2,0,0,0,0,0|1,0,1]=4 47 B11R1.28 OCCOCC1=CC=CC=C1 DY20071 [2,0,0,0,0,0|1,0,1]=4 48 B13R1.9 CCCCCCC1=CC=C(N)C=C1 NO22853 [1,1,0,0,0,0|1,0,1]=4 49 B13R1.9 CCCCCCC1=CC=C(O)C=C1 DY543891 [1,1,0,0,0,0|1,0,1]=4 50 B13R1.24 CCCCC[C@@H](N)C1=CC=CC=C1 DY585434 [1,1,0,0,0,0|1,0,1]=4 51 B13R1.28 CCCCCCCC1=CC=CC=C1 DY790293 [1,1,0,0,0,0|1,0,1]=4 52 B13R1.45 CC(=O)OCC(=O)C1=CC=CN=C1 DY656085 [1,1,0,0,0,0|1,0,1]=4 53 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 DY628131 [1,1,0,0,0,0|2,0,0]=4 54 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 NO11157 [1,1,0,0,0,0|2,0,0]=4 55 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O NO11152 [1,1,0,0,0,0|2,0,0]=4 56 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 NO11118 [1,1,0,0,0,0|2,0,0]=4 57 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 NO11117 [1,1,0,0,0,0|2,0,0]=4 58 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 NO11150 [1,1,0,0,0,0|2,0,0]=4 59 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 NO11085 [1,1,0,0,0,0|2,0,0]=4 60 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 NO15672 [1,1,0,0,0,0|2,0,0]=4 61 B13R1.11 COC(=O)CC(N)C1=CC=NC=C1 DY700483 [0,1,0,0,1,0|2,0,0]=4 62 B13R1.11 COC(=O)C[C@H](N)C1=NC=CC=C1 DY625915 [0,1,0,0,1,0|2,0,0]=4 63 B13R1.11 C[C@@H](NC(=O)CCl)C1=CC=CC=C1 DY622077 [0,1,0,0,1,0|2,0,0]=4 64 B13R1.14 COC(=O)CCC1=CC=C(Cl)C=C1 DY557235 [0,1,0,0,1,0|1,0,0]=3 65 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 DY550635 [0,1,0,0,1,0|1,0,0]=3 66 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 NO11125 [0,1,0,0,1,0|1,0,0]=3 67 B13R1.14 COC(=O)COC1=CC=C(N)C=C1 DY584698 [0,1,0,0,1,0|2,0,0]=4 68 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 DY700044 [0,1,0,0,1,0|1,0,0]=3 69 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 NO21578 [0,1,0,0,1,0|1,0,0]=3 70 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 NO11158 [0,1,0,0,1,0|1,0,0]=3 71 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 NO11127 [0,1,0,0,1,0|1,0,0]=3 72 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 NO14552 [0,1,0,0,1,0|1,0,0]=3 73 B13R1.528 CNC(=O)COC1=C(Br)C=CC=C1 DY615039 [0,1,0,0,1,0|2,0,0]=4 74 B15R1.959 COC(=O)CCCC(=O)C1=CC=CC=C1 DY20148 [0,1,0,0,0,1|2,0,0]=4 75 B15R1.959 COC(=O)CCNC(C)C1=CC=CC=C1 DY609739 [0,1,0,0,0,1|2,0,0]=4 76 B15R1.1321 COC(=O)[C@@H](C)COCC1=CC=CC=C1 DY625903 [0,1,0,0,0,1|2,0,0]=4 77 B15R1.11 CCOC(=O)CCCC1=CC=C(Br)C=C1 NO15747 [0,2,0,0,0,0|1,0,0]=3 78 B15R1.206 COC(=O)CCCC1=CC=C(OC)C=C1 NO17079 [0,2,0,0,0,0|2,0,0]=4 79 B15R1.826 CCOC(=O)C(=O)CCC1=CC=CC=C1 DY565455 [0,2,0,0,0,0|1,0,0]=3 80 B15R1.826 CCOC(=O)[C@@H](N)CCC1=CC=CC=C1 NO16255 [0,2,0,0,0,0|1,0,0]=3 81 B15R1.9084 O=C(O)CC(=O)OCCC1=CC=CC=C1 DY110596 [0,2,0,0,0,0|0,0,1]=3 82 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 NO19345 [1,0,0,1,0,0|1,0,1]=4 83 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 NO19654 [1,0,0,1,0,0|2,0,0]=4 84 B13R2.3 C1=CC=C([C@@H]2CCCNC2)C=C1 DY625255 [1,0,0,1,0,0|1,0,1]=4 85 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 DY586629 [1,0,0,1,0,0|1,0,1]=4 86 B13R2.64 C1=CC=C(C[C@H]2CCNC2)C=C1 DY625201 [1,0,0,1,0,0|2,0,0]=4 87 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 NO13543 [1,0,0,1,0,0|1,0,0]=3 88 B13R2.10 O=C1CC(C2=CC=CC=C2)NN1 DY649179 [1,0,0,1,0,0|2,0,0]=4 89 B13R2.10 O=C1CC(C2=CC=NC=C2)CN1 DY515619 [1,0,0,1,0,0|2,0,0]=4 90 B13R2.10 O=C1NCC(c2ccccc2)O1 DY798081 [1,0,0,1,0,0|2,0,0]=4 91 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 NO11043 [1,0,0,1,0,0|1,0,0]=3 92 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 NO11041 [1,0,0,1,0,0|1,0,0]=3 93 B13R2.72 O=C(O)C1CCC2=CC=CC=C21 NO20735 [1,0,0,1,0,0|2,0,0]=4 94 B13R2.163 O=C1CC2=C(C=CC=C2)CCN1 DY528321 [1,0,0,1,0,0|1,0,0]=3 95 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 NO10012 [1,0,0,1,0,0|2,0,0]=4 96 B13R2.423 CC(=O)N1CC1C2=CC=CC=C2 DY743899 [1,0,0,1,0,0|1,0,0]=3 97 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 DY542877 [1,0,0,1,0,0|2,0,0]=4 98 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 DY581337 [1,0,0,1,0,0|2,0,0]=4 99 B13R2.32 CC1=C(C)C2=CC=CC=C2CC1 DY558111 [0,0,0,1,1,0|1,0,1]=4 100 B13R2.57 CCC1CCC2=CC=CC=C2N1 DY554433 [0,0,0,1,1,0|1,0,1]=4 101 B13R2.373 CC1C(=O)CN1C2=CC=CC=C2 DY719782 [0,0,0,1,1,0|1,0,0]=3 102 B15R2.29 O=C1CCC(CC2=CC=CC=C2)CC1 DY106762 [0,0,0,1,0,1|1,0,0]=3 103 B15R2.29 O=C1CCN(CC2=CC=CC=C2)CC1 DY461166 [0,0,0,1,0,1|1,0,0]=3 104 B15R2.29 O=C1CCN(CC2=CC=NC=C2)CC1 NO20804 [0,0,0,1,0,1|2,0,0]=4 105 B15R2.548 O=C1CCCC(C2=CC=CC=C2)CN1 DY743467 [0,0,0,1,0,1|2,0,0]=4 106 B15R2.79765 O=C(CCl)N1CCSC2=C1C=CC=C2 DY669585 [0,0,0,1,0,1|2,0,0]=4 107 B15R2.3 O=C1CCC(C2=CC=C(O)C=C2)CC1 NO13481 [0,1,0,1,0,0|1,0,0]=3 108 B15R2.94 CC1CN(C2=CC=CC=C2)CCC1=O DY637424 [0,1,0,1,0,0|2,0,0]=4 109 B15R2.31 O=C1CCCC(CC2=CC=CC=C2)C1 DY757045 [0,1,0,1,0,0|1,0,0]=3 110 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 DY10133 [0,1,0,1,0,0|2,0,0]=4 111 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 NO16761 [0,1,0,1,0,0|2,0,0]=4 112 B15R2.31 O=C1COCC(CC2=CC=CC=C2)N1 DY732379 [0,1,0,1,0,0|1,0,0]=3 113 B15R2.55 O=C1NCCC1CCC2=CC=CC=C2 DY667243 [0,1,0,1,0,0|1,0,0]=3 114 B15R2.325 CC1CC(=O)CN1CC2=CC=CC=C2 DY33311 [0,1,0,1,0,0|2,0,0]=4 115 B15R2.1342 CCOC(=O)C1CC1C2=NC=CC=C2 DY795753 [0,1,0,1,0,0|2,0,0]=4 116 B15R2.1342 CCOC(=O)C1OC1c2ccccc2 DY511695 [0,1,0,1,0,0|2,0,0]=4 117 B15R2.19393 CC1CC2=CC=CC=C2N1C(=O)CCl DY614659 [0,1,0,1,0,0|2,0,0]=4 118 B15R2.308 CC1=C(C2CCC(=O)NC2)C=CC=C1 DY638974 [0,1,0,1,0,0|1,0,0]=3 119 B15R2.28 O=C1CCC(C2=CC(Cl)=CC=C2)CN1 DY638956 [0,1,0,1,0,0|1,0,0]=3 120 B15R3.76 O=C1NCC2CC1C3=C2C=CC=C3 DY753361 [0,0,0,2,0,0|1,0,0]=3 121 B11R1.91 CC(=O)CCC1=CC=CN=C1 DY560043 [1,0,0,0,1,0|1,0,0]=3 122 B11R1.91 CC(O)CCC1=CC=CC=C1 DY746761 [1,0,0,0,1,0|0,0,2]=4 123 B11R1.91 NC(=O)CCC1=NC=CC=C1 DY713935 [1,0,0,0,1,0|2,0,0]=4 124 B11R1.91 O=C(O)CCC1=CC=CC=C1 DY556977 [1,0,0,0,1,0|1,0,0]=3 125 B11R1.91 O=C(O)CNc1ccccc1 DY439073 [1,0,0,0,1,0|2,0,0]=4 126 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 NO20444 [1,0,0,0,1,0|2,0,0]=4 127 B11R1.40 CCC(=O)OC1=CC=CC=C1 DY584283 [0,0,0,0,2,0|0,0,0]=2 128 B11R1.40 CCC(N)CC1=CC=CC=C1 DY538887 [0,0,0,0,2,0|1,0,1]=4 129 B11R1.40 CNC(=O)OC1=CC=CC=C1 DY584385 [0,0,0,0,2,0|1,0,0]=3