0 B14R1.160 O=C(O)CCC(=O)C1=CC=CC=C1Cl AC-96327 [0,0,0,0,0,0|1,0,0]=1 1 B14R1.160 O=C(O)CNC(=O)C1=CC=CC=C1Cl AC-93538 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 AC-90975 [1,0,0,0,0,0|1,0,0]=2 3 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 AC-87984 [1,0,0,0,0,0|1,0,1]=3 4 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 AC-22857 [1,0,0,0,0,0|0,0,0]=1 5 B13R1.45 O=C(O)CCC(=O)C1=CC=NC=C1 AC-81902 [1,0,0,0,0,0|1,0,0]=2 6 B13R1.158 CC1=CC=CC=C1CCCC(=O)O AC-82439 [1,0,0,0,0,0|1,0,1]=3 7 B13R1.158 NC1=CC=CC=C1OCCC(=O)O AC-32414 [1,0,0,0,0,0|2,0,0]=3 8 B13R1.158 NC1=CC=CC=C1OCCC(=O)O AC-90420 [1,0,0,0,0,0|2,0,0]=3 9 B13R1.158 O=C(O)CCCC1=CC=CC=C1O AC-91141 [1,0,0,0,0,0|0,0,1]=2 10 B15R1.124 O=C(O)CCC(=O)C1=CC=CC(Cl)=C1Cl AC-89871 [0,1,0,0,0,0|1,0,0]=2 11 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@@H](N)C(=O)O AC-83428 [0,1,0,0,0,0|1,0,0]=2 12 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@H](N)C(=O)O AC-83191 [0,1,0,0,0,0|1,0,0]=2 13 B15R1.5822 CC(=O)OCC(=O)C1=CC=C(F)C=C1F AC-24202 [0,1,0,0,0,0|3,0,0]=4 14 B15R1.5822 O=C(O)CCC(=O)C1=CC=C(F)C=C1F AC-89061 [0,1,0,0,0,0|1,0,0]=2 15 B15R1.8420 NC(=O)COC(=O)C1=CC(O)=CC=C1N AC-93576 [0,1,0,0,0,0|3,0,0]=4 16 B15R2.6 O=C(O)CCN1C=NC2=CC=CC=C21 AC-44326 [0,0,0,1,0,0|3,0,0]=4 17 B15R2.14951 O=C(O)C1=CC(=O)C2=C(C=CC=C2)O1 AC-13012 [0,0,0,1,0,0|0,0,2]=3 18 B15R2.14951 O=C(O)C1=NC2=C(C=CC=C2)C(=O)N1 AC-45861 [0,0,0,1,0,0|2,0,1]=4 19 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1C AC-75977 [0,0,0,0,1,0|2,0,0]=3 20 B13R1.201 CC1=CC=CC=C1C(N)CC(=O)O AC-52657 [0,0,0,0,1,0|2,0,1]=4 21 B13R1.201 CC1=CC=CC=C1[C@@H](N)CC(=O)O AC-77011 [0,0,0,0,1,0|2,0,1]=4 22 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1F AC-24529 [0,0,0,0,1,0|2,0,1]=4 23 B15R1.8019 CC(C)CCOC(=O)C1=CC=CC=C1O AC-65276 [0,0,0,0,0,1|2,0,1]=4 24 B12R1.252 O=C(O)CCCC1=CC=CC=C1 AC-38854 [2,0,0,0,0,0|0,0,1]=3 25 B12R1.252 O=C(O)CCNC1=CC=CC=C1 AC-42393 [2,0,0,0,0,0|1,0,0]=3 26 B12R1.252 O=C(O)CNCC1=CC=CC=C1 AC-17267 [2,0,0,0,0,0|1,0,1]=4 27 B12R1.252 O=C(O)COCC1=CC=CC=C1 AC-51588 [2,0,0,0,0,0|1,0,1]=4 28 B12R1.308 CCCC(=O)C1=CC=CC=C1O AC-65621 [2,0,0,0,0,0|0,0,1]=3 29 B12R1.308 O=C(CCCl)C1=CC=CC=C1F AC-45213 [2,0,0,0,0,0|2,0,0]=4 30 B14R1.149 O=C(O)CCC(=O)C1=CC=CC(Cl)=C1 AC-96328 [1,1,0,0,0,0|0,0,0]=2 31 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O AC-55909 [1,1,0,0,0,0|1,0,0]=3 32 B14R1.415 N[C@@H](CC(=O)C1=CC=CC=C1)C(=O)O AC-77220 [1,1,0,0,0,0|0,0,0]=2 33 B14R1.415 O=C(NC(O)C(=O)O)C1=CC=CC=C1 AC-32478 [1,1,0,0,0,0|1,0,0]=3 34 B14R1.678 CC(=O)CCC(=O)C1=CC=C(Cl)C=C1 AC-85396 [1,1,0,0,0,0|1,0,0]=3 35 B14R1.678 NC1=CC=C(C(=O)NCC(=O)O)C=C1 AC-20241 [1,1,0,0,0,0|1,0,0]=3 36 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 AC-31457 [1,1,0,0,0,0|0,0,0]=2 37 B14R1.678 O=C(O)CNC(=O)C1=CC=C(Cl)C=C1 AC-72914 [1,1,0,0,0,0|1,0,0]=3 38 B14R1.813 O=C(O)CNS(=O)(=O)C1=CC=CC=C1 AC-87915 [1,1,0,0,0,0|2,0,0]=4 39 B14R1.96 N#CC1=CC=CC=C1OCCC(=O)O AC-35161 [1,1,0,0,0,0|2,0,0]=4 40 B14R1.1035 CCCCOC(=O)C1=CC=CC=C1O AC-89516 [1,1,0,0,0,0|1,0,1]=4 41 B16R1.11345 O=C(O)CCC(=O)C1=CC(Br)=C(O)C=C1O AC-85863 [0,2,0,0,0,0|0,0,0]=2 42 B14R2.287 O=C1CCC(=O)C2=CC=CC=C2N1 AC-85877 [1,0,0,1,0,0|1,0,0]=3 43 B14R2.25733 O=C1CC(C(=O)O)C2=C1C=CC=C2 AC-64231 [1,0,0,1,0,0|0,0,0]=2 44 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)N1 AC-29849 [1,0,0,1,0,0|1,0,1]=4 45 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2S1 AC-93877 [1,0,0,1,0,0|0,1,1]=4 46 B14R2.768 O=C(O)CN1C=C2C=CC=CC2=N1 AC-46409 [1,0,0,1,0,0|2,0,0]=4 47 B14R2.781 O=C(O)C1CCC2=C(C=CC=C2)C1 AC-94428 [1,0,0,1,0,0|1,0,1]=4 48 B14R2.781 O=C(O)C1CCC2=C(C=CC=C2)O1 AC-35437 [1,0,0,1,0,0|0,0,1]=3 49 B14R2.781 O=C(O)C1CNC2=C(C=CC=C2)C1 AC-75793 [1,0,0,1,0,0|2,0,0]=4 50 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)C1 AC-92404 [1,0,0,1,0,0|2,0,0]=4 51 B14R2.781 O=C(O)[C@@H]1COC2=CC=CC=C2O1 AC-80656 [1,0,0,1,0,0|1,0,0]=3 52 B14R2.5443 O=C(O)C1CC1C2=CC=CC=C2F AC-73763 [1,0,0,1,0,0|1,0,1]=4 53 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 AC-10920 [0,0,0,1,1,0|2,0,0]=4 54 B14R2.2 O=C(O)CC1=COC2=CC=CC=C12 AC-34303 [0,0,0,1,1,0|1,0,0]=3 55 B14R2.2 O=C(O)CC1=CSC2=CC=CC=C12 AC-83669 [0,0,0,1,1,0|1,1,0]=4 56 B14R2.2 O=C(O)CC1=NNC2=C1C=CC=C2 AC-87347 [0,0,0,1,1,0|2,0,0]=4 57 B14R2.450 O=C(O)C1=C(Cl)C2=CC=CC=C2O1 AC-87110 [0,0,0,1,1,0|1,0,1]=4 58 B16R2.477 O=C(O)CCC1=CN=C2C=CC=CC2=N1 AC-95220 [0,0,0,1,0,1|2,0,0]=4 59 B16R2.36 O=C(O)CCCC1=CNC2=C1C=CC=C2 AC-10908 [0,0,0,1,0,1|2,0,0]=4 60 B16R2.16183 O=C(O)CN1C(=O)C2=C(C=CC=C2)C1=O AC-23987 [0,1,0,1,0,0|1,0,1]=4 61 B16R2.12 CC(CC1=CNC2=C1C=CC=C2)C(=O)O AC-82499 [0,1,0,1,0,0|2,0,0]=4 62 B16R2.12 NC(CC1=COC2=CC=CC=C12)C(=O)O AC-88377 [0,1,0,1,0,0|1,0,0]=3 63 B16R2.133406 O=C(O)C1=CC(=O)C2=C(C=C(F)C=C2)O1 AC-91651 [0,1,0,1,0,0|0,0,2]=4 64 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(Br)C=C2 AC-66814 [0,1,0,1,0,0|2,0,0]=4 65 B16R2.23501 O=C(O)C1=CC(=O)C2=C(C=CC(F)=C2)O1 AC-15629 [0,1,0,1,0,0|0,0,2]=4 66 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 AC-22851 [1,0,0,0,1,0|1,0,0]=3 67 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 AC-54968 [1,0,0,0,1,0|2,0,0]=4 68 B12R1.125 CC(=O)CCC1=CC=CC=C1N AC-88817 [1,0,0,0,1,0|2,0,0]=4 69 B12R1.125 CC1=CC=CC=C1CCC(=O)O AC-20107 [1,0,0,0,1,0|1,0,0]=3 70 B12R1.125 O=C(O)CCC1=CC=CC=C1I AC-91029 [1,0,0,0,1,0|1,0,0]=3 71 B12R1.125 O=C(O)CCN1C=CC=CC1=O AC-57410 [1,0,0,0,1,0|1,0,1]=4 72 B12R1.125 O=C(O)CNC1=CC=CC=C1F AC-76022 [1,0,0,0,1,0|2,0,0]=4 73 B12R1.125 O=C(O)COC1=CC=CC=C1F AC-38430 [1,0,0,0,1,0|2,0,0]=4 74 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br AC-89273 [1,0,0,0,1,0|1,0,1]=4 75 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl AC-19585 [1,0,0,0,1,0|1,0,1]=4 76 B14R1.420 C\C(=N\OCC(=O)O)C1=CC=CC=C1 AC-75598 [1,0,0,0,0,1|2,0,0]=4 77 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 AC-54423 [1,0,0,0,0,1|0,0,0]=2