0 B13R1.133 CC(=O)C(Cl)CC1=CC=C(C=C1)Cl S567140 [1,0,0,0,0,0|3,0,0]=4 1 B13R1.133 CC(CC1=CC=C(C=C1)O)C(=O)O PH008203 [1,0,0,0,0,0|1,0,0]=2 2 B13R1.133 CC(OC1=CC=C(C=C1)Br)C(=O)O CDS005545 [1,0,0,0,0,0|3,0,0]=4 3 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O R750298 [1,0,0,0,0,0|3,0,0]=4 4 B13R1.133 CC(OC1=CC=C(C=C1)F)C(=O)O PH009975 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O R245267 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.133 CC1=CC=C(C=C1)CC(N)C(=O)O PH011203 [1,0,0,0,0,0|1,0,0]=2 7 B13R1.133 C[C@H](CC1=CC=C(C=C1)N)C(=O)O PH001854 [1,0,0,0,0,0|2,0,0]=3 8 B13R1.133 NC(CC1=CC=[N+](C=C1)[O-])C(=O)O PH003272 [1,0,0,0,0,0|1,0,1]=3 9 B13R1.148 CC(=O)C(Cl)CC1=CC=CC(=C1)Cl S567183 [1,0,0,0,0,0|3,0,0]=4 10 B13R1.148 CC(OC1=CC=CC(=C1)F)C(=O)O CDS002341 [1,0,0,0,0,0|3,0,0]=4 11 B13R1.148 O=C(O)/C(=C/C1=CC(=CC=C1)O)/S PH000774 [1,0,0,0,0,0|1,0,2]=4 12 B13R1.148 O=C(O)C(=S)CC1=CC(=CC=C1)O R627119 [1,0,0,0,0,0|1,0,1]=3 13 B13R1.148 O=C(O)C(Br)CC1=CC(=CC=C1)Cl L129844 [1,0,0,0,0,0|2,0,0]=3 14 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)Br T303011 [1,0,0,0,0,0|2,0,0]=3 15 B13R1.511 CC1=CC(=CC=C1Cl)OCC(=O)O CDS006826 [1,0,0,0,0,0|3,0,0]=4 16 B13R1.511 CN(C)CCC1=CC=C(C(=C1)O)O PH013462 [1,0,0,0,0,0|3,0,0]=4 17 B13R1.511 O=C(O)CSC1=CC=C(C(=C1)Cl)Cl R538639 [1,0,0,0,0,0|3,0,0]=4 18 B13R1.2879 CCC(N)CC1=CC(=C(C=C1)C)O T340685 [1,0,0,0,0,0|2,0,1]=4 19 B15R1.28955 [C@H](N)(CC1=CC(=C(C(=C1)Br)O)Br)C(=O)O S448923 [0,1,0,0,0,0|1,0,0]=2 20 B13R1.510 NC(C(=O)O)C1=CC=C(C(=C1)F)F CDS022248 [0,0,0,0,1,0|2,0,0]=3 21 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O S755710 [2,0,0,0,0,0|2,0,0]=4 22 B12R1.21 CC1=CC=[N+](C=C1)CCC(=O)O OTV000678 [2,0,0,0,0,0|2,0,0]=4 23 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CDS020808 [2,0,0,0,0,0|1,0,0]=3 24 B12R1.21 O=C(O)CNC1=CC=C(C=C1)F T109797 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [2,0,0,0,0,0|2,0,0]=4 28 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O T214256 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.43 NC(CC1=CC=CC=N1)C(=O)O CDS020095 [2,0,0,0,0,0|1,0,0]=3 30 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O CDS020090 [2,0,0,0,0,0|1,0,0]=3 31 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [2,0,0,0,0,0|0,0,0]=2 32 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.43 O=C(O)C(O)CC1=CC=CN=C1 CDS008837 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.43 O=C([O-])C(O)CC1=CC=CC=C1 S789089 [2,0,0,0,0,0|1,0,1]=4 35 B12R1.49 NC(CC1=CC=C(C=C1)O)N=O PH016710 [2,0,0,0,0,0|1,0,0]=3 36 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O S353191 [2,0,0,0,0,0|2,0,0]=4 37 B12R1.226 NC1=CC(=CC=C1)CCC(=O)O CDS000895 [2,0,0,0,0,0|1,0,0]=3 38 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O PH011597 [2,0,0,0,0,0|0,0,0]=2 39 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl L449121 [2,0,0,0,0,0|2,0,0]=4 40 B14R1.3 COC1=CC=C(C=C1)CC(Br)C(=O)O L129216 [1,1,0,0,0,0|1,0,0]=3 41 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)Cl PH016711 [1,1,0,0,0,0|1,0,0]=3 42 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)O S457787 [1,1,0,0,0,0|0,0,0]=2 43 B14R1.536 COC(CC1=CC=C(C=C1)Br)C(=O)O PH018906 [1,1,0,0,0,0|2,0,0]=4 44 B14R1.536 COC(CC1=CC=C(C=C1)I)C(=O)O PH016333 [1,1,0,0,0,0|2,0,0]=4 45 B14R1.6049 CC1=CC=C(C(=C1)C)C[C@@H](N)C(=O)O CDS005520 [1,1,0,0,0,0|1,0,0]=3 46 B14R1.6049 CC1=CC=C(C(=C1)O)CC(N)C(=O)O S749745 [1,1,0,0,0,0|1,0,0]=3 47 B14R1.6049 NC(CC1=CC=C(C=C1Cl)Cl)C(=O)O PH010886 [1,1,0,0,0,0|1,0,0]=3 48 B14R1.7626 CC(N)(CC1=CC=C(C=C1)O)C(=O)O S783218 [1,1,0,0,0,0|0,0,0]=2 49 B14R1.135 COC(=O)[C@H](N)CC1=CC(=CC=C1)F CDS020830 [1,1,0,0,0,0|1,0,0]=3 50 B14R1.153 CC1=C(C(=CC=C1)CC(N)C(=O)O)O S749753 [1,1,0,0,0,0|1,0,0]=3 51 B14R1.542 CCC(CC1=CC(=CC=C1)O)C(=O)O R648345 [1,1,0,0,0,0|1,0,0]=3 52 B14R1.4404 CC(C)(CC1=CC(=CC=C1)F)C(=O)O PH017258 [1,1,0,0,0,0|2,0,0]=4 53 B14R1.4474 CC1=CC=C(C(=C1)CC(N)C(=O)O)O S749664 [1,1,0,0,0,0|1,0,0]=3 54 B14R1.685 CC1=C(C=C(C=C1)C(C)CC(=O)O)Br L128104 [1,1,0,0,0,0|2,0,0]=4 55 B14R1.685 NC(CC(=O)O)C1=CC(=C(C=C1)Cl)Cl BBO000722 [1,1,0,0,0,0|2,0,0]=4 56 B14R1.685 NC(CC(=O)O)C1=CC(=C(C=C1)Cl)Cl CDS006137 [1,1,0,0,0,0|2,0,0]=4 57 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)Br S102350 [1,1,0,0,0,0|1,0,0]=3 58 B14R1.3653 COC1=CC=C(C=C1C)CCC(=O)O S953792 [1,1,0,0,0,0|1,0,0]=3 59 B14R1.3653 COC1=CC=C(C=C1O)CCC(=O)O CDS006461 [1,1,0,0,0,0|0,0,0]=2 60 B14R1.15552 CC(=O)CCC1=CC(=C(C(=C1)C)O)C S290920 [1,1,0,0,0,0|2,0,0]=4 61 B14R1.3652 COC1=C(C=C(C=C1)C(O)C(=O)O)Cl L128597 [0,1,0,0,1,0|2,0,0]=4 62 B14R1.3652 COC1=CC=C(C=C1Br)[C@@H](N)C(=O)O PH015961 [0,1,0,0,1,0|1,0,0]=3 63 B16R1.11361 N[C@@H](CC(=O)O)CC1=CC(=C(C=C1F)F)F CDS009829 [0,1,0,0,0,1|2,0,0]=4 64 B16R1.11361 N[C@H](CC(=O)O)CC1=CC(=C(C=C1F)F)F CDS009831 [0,1,0,0,0,1|2,0,0]=4 65 B16R1.4274 COC1=C(C=C(C=C1)CC(O)C(=O)O)OC PH004802 [0,2,0,0,0,0|1,0,0]=3 66 B16R1.4274 COC1=CC=C(C=C1OC)CC(N)C(=O)O S783374 [0,2,0,0,0,0|0,0,0]=2 67 B16R1.1627 COC(=O)C(N)CC1=CC(=C(C(=C1)I)O)I PH013735 [0,2,0,0,0,0|1,0,0]=3 68 B16R1.76178 COC(=O)C(C)(N)CC1=CC=C(C(=C1)C)O S455326 [0,2,0,0,0,0|1,0,0]=3 69 B14R2.4529 CC1=CC=C2CC(CC2=C1)C(=O)O PH017368 [1,0,0,1,0,0|2,0,0]=4 70 B14R2.4529 CC1=CC=C2CC(SC2=C1)C(=O)O T326569 [1,0,0,1,0,0|2,0,0]=4 71 B14R2.4529 O=C(O)C1=CC2=CC=C(C=C2N1)O CDS005384 [1,0,0,1,0,0|0,0,2]=4 72 B14R2.4476 O=C(O)C1CC1C2=CC=CC(=C2)F CDS023747 [1,0,0,1,0,0|2,0,0]=4 73 B14R2.7969 O=C(O)C1=CC2=C(N1)C(=CC=C2)O CDS007536 [1,0,0,1,0,0|0,0,2]=4 74 B16R2.6257 CC(CC1=CC2=C(C=C1)OCO2)C(=O)O T159530 [0,1,0,1,0,0|1,0,0]=3 75 B16R2.6257 O=C(O)C(=O)CC1=CC2=C(C=C1)OCO2 T153710 [0,1,0,1,0,0|1,0,1]=4 76 B16R2.6257 O=C(O)C(O)CC1=CC2=C(C=C1)OCO2 PH004803 [0,1,0,1,0,0|1,0,0]=3 77 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F S450359 [1,0,0,0,1,0|2,0,0]=4 78 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)O PH000116 [1,0,0,0,1,0|0,0,0]=2 79 B12R1.20 NC1=CC=C(C=C1)C(N)C(=O)O PH000028 [1,0,0,0,1,0|1,0,0]=3 80 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Cl CDS019939 [1,0,0,0,1,0|2,0,0]=4 81 B12R1.225 O=C(O)C(O)C1=CC=CC(=C1)Br PH011789 [1,0,0,0,1,0|2,0,0]=4 82 B12R1.367 N/C(=N/O)/C1=CC=C(C(=C1)O)O BOG00049 [1,0,0,0,1,0|1,0,1]=4 83 B14R1.679 CC(CNC1=CC=C(C=C1)Cl)C(=O)O PH010346 [1,0,0,0,0,1|2,0,0]=4 84 B14R1.679 CC1=CC=C(C=C1)CCC(O)C(=O)O PH008648 [1,0,0,0,0,1|2,0,0]=4 85 B14R1.687 CC1=CC=C(C=C1C)CCCC(=O)O S714461 [1,0,0,0,0,1|2,0,0]=4 86 B14R1.687 CC1=CC=C(C=C1C)OCCC(=O)O PH009804 [1,0,0,0,0,1|2,0,0]=4