0 B14R1.160 CC1=C(C(=O)CCC(=O)O)C=CC=C1 AMY7580 [0,0,0,0,0,0|1,0,0]=1 1 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 AM20120560 [1,0,0,0,0,0|1,0,1]=3 2 B13R1.45 O=C(CC[C@@H](O)Cl)C1=CC=CC=C1 AM83271 [1,0,0,0,0,0|1,0,1]=3 3 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 AM20030310 [1,0,0,0,0,0|0,0,0]=1 4 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 AMY39522 [1,0,0,0,0,0|1,0,0]=2 5 B13R1.45 O=C(O)CSC(=S)C1=CC=CC=C1 AMY897 [1,0,0,0,0,0|1,1,0]=3 6 B13R1.158 CC1=C(CNCC(=O)O)C=CC=C1 AM101166 [1,0,0,0,0,0|2,0,1]=4 7 B13R1.158 O=C(O)CCCC1=C(Br)C=CC=C1 AM807649 [1,0,0,0,0,0|1,0,1]=3 8 B13R1.158 O=C(O)CNCC1=C(Cl)C=CC=C1 AM101479 [1,0,0,0,0,0|2,0,1]=4 9 B13R1.158 O=C(O)CNCC1=C(F)C=CC=C1 AM101480 [1,0,0,0,0,0|2,0,1]=4 10 B13R1.158 O=C(O)CNCC1=C(I)C=CC=C1 AM94213 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.674 O=C(NCCO)C1=C(O)C=CC=C1 AM20030432 [1,0,0,0,0,0|1,0,1]=3 12 B15R1.5793 NC1=C(C(=O)C[C@H](N)C(=O)O)C=CC=C1 AM83692 [0,1,0,0,0,0|1,0,0]=2 13 B15R1.5793 NC1=C(C(=O)C[C@H](N)C(=O)O)C=CC=C1 AMY22189 [0,1,0,0,0,0|1,0,0]=2 14 B15R1.5793 NC1=C(C(=O)C[C@H](N)C(=O)O)C=CC=C1 AMY22190 [0,1,0,0,0,0|1,0,0]=2 15 B15R1.8420 O=C(O)CNC(=O)C1=C(Cl)C=CC(Cl)=C1 AMY39521 [0,1,0,0,0,0|2,0,0]=3 16 B15R2.6 NC(=O)CCC1=CNC2=C1C=CC=C2 AM20040773 [0,0,0,1,0,0|3,0,0]=4 17 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 AM20060737 [0,0,0,1,0,0|2,0,0]=3 18 B15R2.6 O=C(O)CCN1CCC2=C1C=CC=C2 AM804638 [0,0,0,1,0,0|3,0,0]=4 19 B15R2.629 O=C(O)CN1CC2=C(C=CC=C2)C1=O AMY21523 [0,0,0,1,0,0|2,0,0]=3 20 B15R2.14951 O=C(Cl)C1=CC(=O)C2=C(C=CC=C2)O1 AM20040592 [0,0,0,1,0,0|1,0,2]=4 21 B15R2.14951 O=C(O)C1=CC(=O)C2=C(C=CC=C2)N1 AMY18102 [0,0,0,1,0,0|1,0,2]=4 22 B15R2.14951 O=C(O)C1=CC(=O)C2=C(C=CC=C2)O1 AM20060637 [0,0,0,1,0,0|0,0,2]=3 23 B13R1.201 CC(=O)CC(=O)C1=C(Br)C=CC=C1 AM87075 [0,0,0,0,1,0|2,0,0]=3 24 B13R1.201 CC1=C([C@@H](N)CC(=O)O)C=CC=C1 AM20060427 [0,0,0,0,1,0|2,0,1]=4 25 B15R1.8019 O=C(O)CCCC(=O)C1=C(F)C=CC=C1 AMY38379 [0,0,0,0,0,1|1,0,0]=2 26 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 AM20040777 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.30 CCCCC(=O)C1=CC=CC=C1 AM20020075 [2,0,0,0,0,0|1,0,1]=4 28 B12R1.30 O=C(CCCCl)C1=CC=CC=C1 AM20041432 [2,0,0,0,0,0|1,0,1]=4 29 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 AM20030216 [2,0,0,0,0,0|1,0,1]=4 30 B12R1.252 O=C(O)CCCC1=CC=CC=C1 AM84635 [2,0,0,0,0,0|0,0,1]=3 31 B12R1.252 O=C(O)CCCC1=CC=NC=C1 AMY16373 [2,0,0,0,0,0|1,0,1]=4 32 B12R1.252 O=C(O)CCCC1=NC=CC=C1 AMY2379 [2,0,0,0,0,0|1,0,1]=4 33 B12R1.252 O=C(O)CCNC1=CC=CC=C1 AM804051 [2,0,0,0,0,0|1,0,0]=3 34 B12R1.252 O=C(O)CCNC1=NC=CC=C1 AM20050630 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.252 O=C(O)CCOC1=CC=CC=C1 AM83175 [2,0,0,0,0,0|1,0,0]=3 36 B12R1.252 O=C(O)CCSC1=CC=CC=C1 AMY32275 [2,0,0,0,0,0|1,0,0]=3 37 B12R1.252 O=C(O)CNCC1=CC=CC=C1 AM803326 [2,0,0,0,0,0|1,0,1]=4 38 B12R1.252 O=C(O)CNCC1=CC=CC=C1 AMY4105 [2,0,0,0,0,0|1,0,1]=4 39 B12R1.252 O=C(O)COCC1=CC=CC=C1 AM20120589 [2,0,0,0,0,0|1,0,1]=4 40 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 AMY13389 [2,0,0,0,0,0|0,0,2]=4 41 B12R1.308 CCNC(=O)C1=C(O)C=CC=C1 AM803933 [2,0,0,0,0,0|1,0,1]=4 42 B12R1.308 CCOC(=O)C1=C(O)C=CC=C1 AM10831 [2,0,0,0,0,0|1,0,1]=4 43 B12R1.308 O=C(CCCl)C1=C(F)C=CC=C1 AMY17066 [2,0,0,0,0,0|2,0,0]=4 44 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 AM10004 [1,1,0,0,0,0|0,0,0]=2 45 B14R1.163 COC(=O)CNC(=O)C1=CC=CC=C1 AMY10566 [1,1,0,0,0,0|1,0,0]=3 46 B14R1.415 C=C(CC(=O)C1=CC=CC=C1)C(=O)O AMY41355 [1,1,0,0,0,0|0,0,1]=3 47 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 AMY6406 [1,1,0,0,0,0|0,0,0]=2 48 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 AM20040918 [1,1,0,0,0,0|0,0,0]=2 49 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Cl)C=C1 AMY24709 [1,1,0,0,0,0|0,0,0]=2 50 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 AM20061180 [1,1,0,0,0,0|0,0,0]=2 51 B14R1.813 O=C(O)CCS(=O)(=O)C1=CC=CC=C1 AMY3241 [1,1,0,0,0,0|1,0,0]=3 52 B16R1.4547 O=C(O)CCC(=O)C1=C(C(=O)O)C=CC=C1 AMY7634 [0,2,0,0,0,0|0,0,0]=2 53 B14R1.4522 O=C(O)CCC1=C(C(=O)O)C=CC=C1 AM20041166 [0,0,1,1,0,0|2,0,0]=4 54 B14R2.287 O=C1CCC(=O)C2=C(C=CC=C2)N1 AMY7836 [1,0,0,1,0,0|1,0,0]=3 55 B14R2.779 O=C(O)C1CC(C2=CC=CC=C2)C1 AMY20808 [1,0,0,1,0,0|1,0,1]=4 56 B14R2.9520 O=C(O)C1CC1(F)C2=CC=CC=C2 AMY5852 [1,0,0,1,0,0|1,0,1]=4 57 B14R2.25733 CC(=O)N1CC(=O)C2=C1C=CC=C2 AMY24719 [1,0,0,1,0,0|2,0,0]=4 58 B14R2.25733 O=C1N[C@@H](C(=O)O)C2=C1C=CC=C2 AMY16332 [1,0,0,1,0,0|1,0,0]=3 59 B14R2.25733 O=C1O[C@@H](C(=O)O)C2=C1C=CC=C2 AMY38349 [1,0,0,1,0,0|1,0,0]=3 60 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)N1 AMY15371 [1,0,0,1,0,0|1,0,1]=4 61 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)O1 AM20060855 [1,0,0,1,0,0|0,0,1]=3 62 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)O1 AM20041175 [1,0,0,1,0,0|1,0,1]=4 63 B14R2.768 O=C(O)CC1CC2=C(C=CC=C2)C1 AM9960 [1,0,0,1,0,0|1,0,1]=4 64 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)O1 AMY4358 [1,0,0,1,0,0|0,0,1]=3 65 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)C1 AMY7825 [1,0,0,1,0,0|2,0,0]=4 66 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)O1 AM10812 [1,0,0,1,0,0|1,0,0]=3 67 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)O1 AMY21353 [1,0,0,1,0,0|1,0,0]=3 68 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=C2)C1 AMY7764 [1,0,0,1,0,0|1,0,1]=4 69 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=C2)O1 AMY4421 [1,0,0,1,0,0|0,0,1]=3 70 B14R2.781 O=C(O)[C@H]1COC2=C(C=CC=C2)O1 AMY21352 [1,0,0,1,0,0|1,0,0]=3 71 B14R2.5443 O=C(O)C1CC1C2=C(F)C=CC=C2 AM20130032 [1,0,0,1,0,0|1,0,1]=4 72 B14R2.8051 O=C1C=CC(=O)C2=C(O)C=CC=C12 AM20040546 [1,0,0,1,0,0|0,0,2]=4 73 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 AMY2736 [0,0,0,1,1,0|2,0,0]=4 74 B14R2.2 O=C(O)CC1=COC2=C1C=CC=C2 AM85861 [0,0,0,1,1,0|1,0,0]=3 75 B14R2.2 O=C(O)CC1=CSC2=C1C=CC=C2 AM86322 [0,0,0,1,1,0|1,1,0]=4 76 B14R2.2 O=C(O)CC1=NOC2=C1C=CC=C2 AMY13601 [0,0,0,1,1,0|1,0,0]=3 77 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 AMY3010 [0,0,0,1,1,0|1,0,1]=4 78 B16R2.477 O=C(O)CCC1=NC2=CC=CC=C2N=C1 AMY21108 [0,0,0,1,0,1|2,0,0]=4 79 B16R2.36 O=C(O)CCCC1=CNC2=C1C=CC=C2 AM20060321 [0,0,0,1,0,1|2,0,0]=4 80 B16R2.16183 O=C(O)CN1C(=O)C2=C(C=CC=C2)C1=O AM20050573 [0,1,0,1,0,0|1,0,1]=4 81 B16R2.83538 O=C(O)CN1N=NC2=C(C=CC=C2)C1=O AM85990 [0,1,0,1,0,0|2,0,0]=4 82 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O AM20050158 [0,1,0,1,0,0|2,0,0]=4 83 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O AM20060836 [0,1,0,1,0,0|2,0,0]=4 84 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O AM82273 [0,1,0,1,0,0|2,0,0]=4 85 B16R2.12 N[C@@H](CC1=CSC2=C1C=CC=C2)C(=O)O AMY25474 [0,1,0,1,0,0|1,1,0]=4 86 B16R2.23501 O=C(O)C1=CC(=O)C2=C(C=CC(Br)=C2)O1 AM81009 [0,1,0,1,0,0|0,0,2]=4 87 B16R2.23501 O=C(O)C1=CC(=O)C2=C(C=CC(Cl)=C2)O1 AM20040573 [0,1,0,1,0,0|0,0,2]=4 88 B16R2.23501 O=C(O)C1=CC(=O)C2=C(C=CC(F)=C2)O1 AMY33428 [0,1,0,1,0,0|0,0,2]=4 89 B16R2.23501 O=C(O)C1=CC(=O)C2=C(C=CC(I)=C2)O1 AM80997 [0,1,0,1,0,0|0,0,2]=4 90 B16R2.23501 O=C1C[C@@H](C(=O)O)OC2=C1C=C(Cl)C=C2 AM20040204 [0,1,0,1,0,0|0,0,0]=2 91 B12R1.54 O=C(O)CNC(=O)C1=CC=CS1 AM807300 [1,0,0,0,1,0|2,0,0]=4 92 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 AMY2396 [1,0,0,0,1,0|2,0,0]=4 93 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 AMY2397 [1,0,0,0,1,0|2,0,0]=4 94 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AM85029 [1,0,0,0,1,0|1,0,1]=4 95 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 AMY24790 [1,0,0,0,1,0|1,0,1]=4 96 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 AMY14871 [1,0,0,0,1,0|1,0,1]=4 97 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 AMY14913 [1,0,0,0,1,0|1,0,1]=4 98 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 AMY2391 [1,0,0,0,1,0|1,0,1]=4 99 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 AMY37509 [1,0,0,0,1,0|1,0,1]=4 100 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 AM83176 [1,0,0,0,1,0|1,0,0]=3 101 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 AM20061166 [1,0,0,0,1,0|1,0,0]=3 102 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 AMY3857 [1,0,0,0,1,0|1,0,0]=3 103 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 AM84190 [1,0,0,0,1,0|1,0,0]=3 104 B12R1.125 O=C(O)CNC1=C(Br)C=CC=C1 AM100791 [1,0,0,0,1,0|2,0,0]=4 105 B12R1.125 O=C(O)COC1=C(Br)C=CC=C1 AM100438 [1,0,0,0,1,0|2,0,0]=4 106 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 AMY3716 [1,0,0,0,1,0|1,0,1]=4 107 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 AMY3960 [1,0,0,0,1,0|1,0,1]=4 108 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 AMY3986 [1,0,0,0,1,0|1,0,1]=4 109 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 AMY4052 [1,0,0,0,1,0|0,0,1]=3 110 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 AMY10729 [1,0,0,0,0,1|0,0,0]=2 111 B14R1.420 O=C(O)CNCC(=O)C1=NC=CN=C1 AM95033 [1,0,0,0,0,1|2,0,0]=4