0 B14R1.3 C=Cc1ccc(cc1)C[C@@H](C(=O)O)N 1P00231B [0,0,0,0,0,0|3,0,1]=4 1 B14R1.3 C=Cc1ccc(cc1)C[C@H](C(=O)O)N 1P01XDCT [0,0,0,0,0,0|3,0,1]=4 2 B14R1.3 CC(C(=O)N)Oc1ccc(cc1)C#N 1P028CYK [0,0,0,0,0,0|3,0,0]=3 3 B14R1.3 CC(C(=O)O)Cc1ccc(cc1)C#N 1P01B2U5 [0,0,0,0,0,0|3,0,0]=3 4 B14R1.3 CC(C(=O)O)Oc1ccc(cc1)C#N 1P00HF3J [0,0,0,0,0,0|2,0,0]=2 5 B14R1.3 CC(C(=O)O)Sc1ccc(cc1)C#N 1P01AABD [0,0,0,0,0,0|2,1,0]=3 6 B14R1.3 CCc1ccc(cc1)C[C@@H](C(=O)O)N 1P00702O [0,0,0,0,0,0|3,0,0]=3 7 B14R1.3 CCc1ccc(cc1)C[C@H](C(=O)O)N 1P005WD2 [0,0,0,0,0,0|3,0,0]=3 8 B14R1.3 CCc1ccc(cc1)OC(C(=O)O)C 1P003XHL [0,0,0,0,0,0|1,0,0]=1 9 B14R1.3 COc1ccc(cc1)CC(=O)C(=O)O 1P00BLKB [0,0,0,0,0,0|2,0,1]=3 10 B14R1.3 COc1ccc(cc1)CC(C(=O)O)C 1P00I9UE [0,0,0,0,0,0|1,0,0]=1 11 B14R1.3 COc1ccc(cc1)CC(C(=O)O)N 1P005Q75 [0,0,0,0,0,0|2,0,0]=2 12 B14R1.3 COc1ccc(cc1)CC(C(=O)O)O 1P00BECT [0,0,0,0,0,0|2,0,0]=2 13 B14R1.3 COc1ccc(cc1)CC(C(=O)O)S 1P01B6ZV [0,0,0,0,0,0|2,0,0]=2 14 B14R1.3 COc1ccc(cc1)CN(C(=N)N)C 1P00J1YV [0,0,0,0,0,0|4,0,0]=4 15 B14R1.3 COc1ccc(cc1)CN(C(=N)N)C 1P01A6S3 [0,0,0,0,0,0|4,0,0]=4 16 B14R1.3 COc1ccc(cc1)CN(C(=O)Cl)C 1P0290MT [0,0,0,0,0,0|3,0,0]=3 17 B14R1.3 COc1ccc(cc1)C[C@@H](C(=O)O)N 1P003M4K [0,0,0,0,0,0|2,0,0]=2 18 B14R1.3 COc1ccc(cc1)C[C@H](C(=O)O)N 1P00BZA8 [0,0,0,0,0,0|2,0,0]=2 19 B14R1.3 COc1ccc(cc1)C[C@H](C(=O)O)N 1P00FFW5 [0,0,0,0,0,0|2,0,0]=2 20 B14R1.3 COc1ccc(cc1)NC(=O)C(=O)O 1P00C7D6 [0,0,0,0,0,0|2,0,1]=3 21 B14R1.3 COc1ccc(cc1)NC(=S)C(=O)N 1P005VAQ [0,0,0,0,0,0|3,0,1]=4 22 B14R1.3 COc1ccc(cc1)OC(C(=O)O)C 1P001861 [0,0,0,0,0,0|0,0,0]=0 23 B14R1.3 COc1ccc(cc1)OC(C(=O)[O-])C 1P001N2Q [0,0,0,0,0,0|0,0,1]=1 24 B14R1.3 COc1ccc(cc1)SC(C(=O)O)C 1P019WBZ [0,0,0,0,0,0|0,1,0]=1 25 B14R1.3 COc1ccc(cc1)\C=C(\C(=O)O)/C 1P000UYQ [0,0,0,0,0,0|1,0,1]=2 26 B14R1.3 CSc1ccc(cc1)CC(C(=O)O)N 1P01A8DB [0,0,0,0,0,0|2,1,0]=3 27 B14R1.3 CSc1ccc(cc1)OC(C(=O)O)C 1P01AKRZ [0,0,0,0,0,0|0,1,0]=1 28 B14R1.3 NC(C(=O)O)Cc1ccc(cc1)C#N 1P00HZNL [0,0,0,0,0,0|4,0,0]=4 29 B14R1.3 NCc1ccc(cc1)C[C@@H](C(=O)O)N 1P001N06 [0,0,0,0,0,0|4,0,0]=4 30 B14R1.3 NCc1ccc(cc1)C[C@H](C(=O)O)N 1P0016CE [0,0,0,0,0,0|4,0,0]=4 31 B14R1.3 N[C@@H](C(=O)O)Cc1ccc(cc1)C#N 1P002T9O [0,0,0,0,0,0|4,0,0]=4 32 B14R1.3 N[C@H](C(=O)O)Cc1ccc(cc1)C#C 1P01G8ZZ [0,0,0,0,0,0|3,0,1]=4 33 B14R1.3 N[C@H](C(=O)O)Cc1ccc(cc1)C#C 1P01P1P3 [0,0,0,0,0,0|3,0,1]=4 34 B14R1.3 N[C@H](C(=O)O)Cc1ccc(cc1)C#N 1P002LTW [0,0,0,0,0,0|4,0,0]=4 35 B14R1.3 N[C@H](C(=O)O)Cc1ccc(cc1)C#N 1P007Y9Q [0,0,0,0,0,0|4,0,0]=4 36 B14R1.3 O=Cc1ccc(cc1)OC(C(=O)O)C 1P00DER7 [0,0,0,0,0,0|2,0,0]=2 37 B14R1.3 OCc1ccc(cc1)C[C@@H](C(=O)O)N 1P024G28 [0,0,0,0,0,0|4,0,0]=4 38 B13R1.3 C#Cc1ccc(cc1)CCC(=O)O 1P024SFJ [1,0,0,0,0,0|2,0,1]=4 39 B13R1.3 C#Cc1ccc(cc1)OCC(=O)O 1P028G33 [1,0,0,0,0,0|1,0,1]=3 40 B13R1.3 C(OCC1=CC=C(C=C1)OC)(=O)Cl 1P01FWTR [1,0,0,0,0,0|3,0,0]=4 41 B13R1.3 CCc1ccc(cc1)C#CC(=O)O 1P00JTBU [1,0,0,0,0,0|2,0,1]=4 42 B13R1.3 CCc1ccc(cc1)C=CC(=O)O 1P002WXC [1,0,0,0,0,0|2,0,1]=4 43 B13R1.3 CCc1ccc(cc1)CCC(=O)O 1P00EASU [1,0,0,0,0,0|2,0,0]=3 44 B13R1.3 CCc1ccc(cc1)OCC(=O)N 1P00JDPY [1,0,0,0,0,0|2,0,0]=3 45 B13R1.3 CCc1ccc(cc1)OCC(=O)O 1P003LSX [1,0,0,0,0,0|1,0,0]=2 46 B13R1.3 CCc1ccc(cc1)\C=C\C(=O)O 1P00IPJ0 [1,0,0,0,0,0|2,0,1]=4 47 B13R1.3 CNc1ccc(cc1)CCC(=O)O 1P027U5O [1,0,0,0,0,0|2,0,0]=3 48 B13R1.3 COc1ccc(cc1)C#CC(=O)O 1P00BVP8 [1,0,0,0,0,0|1,0,1]=3 49 B13R1.3 COc1ccc(cc1)C=CC(=O)O 1P005E7T [1,0,0,0,0,0|1,0,1]=3 50 B13R1.3 COc1ccc(cc1)CCC(=O)C 1P003KKW [1,0,0,0,0,0|2,0,0]=3 51 B13R1.3 COc1ccc(cc1)CCC(=O)Cl 1P001RHE [1,0,0,0,0,0|2,0,0]=3 52 B13R1.3 COc1ccc(cc1)CCC(=O)N 1P007NRK [1,0,0,0,0,0|2,0,0]=3 53 B13R1.3 COc1ccc(cc1)CCC(=O)O 1P002GWV [1,0,0,0,0,0|1,0,0]=2 54 B13R1.3 COc1ccc(cc1)CCC(O)C 1P0039YA [1,0,0,0,0,0|2,0,1]=4 55 B13R1.3 COc1ccc(cc1)CNC(=O)C 1P00D2IP [1,0,0,0,0,0|3,0,0]=4 56 B13R1.3 COc1ccc(cc1)CNC(=O)N 1P00IA7O [1,0,0,0,0,0|3,0,0]=4 57 B13R1.3 COc1ccc(cc1)COC(=O)C 1P0086OR [1,0,0,0,0,0|3,0,0]=4 58 B13R1.3 COc1ccc(cc1)OCC(=N)N 1P00J1V7 [1,0,0,0,0,0|2,0,0]=3 59 B13R1.3 COc1ccc(cc1)OCC(=O)Cl 1P00C0CN [1,0,0,0,0,0|1,0,0]=2 60 B13R1.3 COc1ccc(cc1)OCC(=O)O 1P003M4T [1,0,0,0,0,0|0,0,0]=1 61 B13R1.3 COc1ccc(cc1)OCC(=S)N 1P003FDE [1,0,0,0,0,0|1,1,0]=3 62 B13R1.3 COc1ccc(cc1)OCC(O)C 1P003DGT [1,0,0,0,0,0|1,0,1]=3 63 B13R1.3 COc1ccc(cc1)\C=C\C(=O)C 1P003KKX [1,0,0,0,0,0|2,0,1]=4 64 B13R1.3 COc1ccc(cc1)\C=C\C(=O)O 1P003CHG [1,0,0,0,0,0|1,0,1]=3 65 B13R1.3 COc1ccc(cn1)CCC(=O)O 1P00HC86 [1,0,0,0,0,0|2,0,0]=3 66 B13R1.3 COc1ccc(nc1)C=CC(=O)O 1P01A7GA [1,0,0,0,0,0|2,0,1]=4 67 B13R1.3 CSc1ccc(cc1)C=CC(=O)O 1P0006SP [1,0,0,0,0,0|1,1,1]=4 68 B13R1.3 CSc1ccc(cc1)CCC(=O)O 1P0019PP [1,0,0,0,0,0|1,1,0]=3 69 B13R1.3 CSc1ccc(cc1)OCC(=N)N 1P01A1FA [1,0,0,0,0,0|2,1,0]=4 70 B13R1.3 CSc1ccc(cc1)OCC(=O)O 1P00ACLQ [1,0,0,0,0,0|0,1,0]=2 71 B13R1.3 ClCc1ccc(cc1)CCC(=O)O 1P0281D5 [1,0,0,0,0,0|3,0,0]=4 72 B13R1.3 ClCc1ccc(cc1)OCC(=O)N 1P01A953 [1,0,0,0,0,0|3,0,0]=4 73 B13R1.3 N#Cc1ccc(cc1)CCC(=O)O 1P003IKV [1,0,0,0,0,0|3,0,0]=4 74 B13R1.3 N#Cc1ccc(cc1)NCC(=O)O 1P003ST0 [1,0,0,0,0,0|3,0,0]=4 75 B13R1.3 N#Cc1ccc(cc1)OCC(=O)N 1P019KRX [1,0,0,0,0,0|3,0,0]=4 76 B13R1.3 N#Cc1ccc(cc1)OCC(=O)O 1P002GYG [1,0,0,0,0,0|2,0,0]=3 77 B13R1.3 N#Cc1ccc(cc1)SCC(=O)O 1P01AB3W [1,0,0,0,0,0|2,1,0]=4 78 B13R1.3 NCc1ccc(cc1)CCC(=O)O 1P00DKAH [1,0,0,0,0,0|3,0,0]=4 79 B13R1.3 NCc1ccc(cc1)CCC(=O)O 1P01PF1L [1,0,0,0,0,0|3,0,0]=4 80 B13R1.3 NCc1ccc(cc1)OCC(=O)N 1P019KVD [1,0,0,0,0,0|3,0,0]=4 81 B13R1.3 NNc1ccc(cc1)CCC(=O)O 1P018N92 [1,0,0,0,0,0|3,0,0]=4 82 B13R1.3 O=Cc1ccc(cc1)CCC(=O)O 1P00CKAS [1,0,0,0,0,0|3,0,0]=4 83 B13R1.3 O=Cc1ccc(cc1)OCC(=O)N 1P0080V2 [1,0,0,0,0,0|3,0,0]=4 84 B13R1.3 O=Cc1ccc(cc1)OCC(=O)O 1P003LX9 [1,0,0,0,0,0|2,0,0]=3 85 B13R1.3 OCc1ccc(cc1)CCC(=O)O 1P01BVPV [1,0,0,0,0,0|3,0,0]=4 86 B13R1.3 OCc1ccc(cc1)OCC(=O)O 1P0034A4 [1,0,0,0,0,0|2,0,0]=3 87 B13R1.5 COc1ccc(cc1)\C=C(/C=O)\C 1P000PZ3 [1,0,0,0,0,0|1,0,1]=3 88 B13R1.5 ClCC(Oc1ccc(cc1)OC)C 1P02818G [1,0,0,0,0,0|1,0,1]=3 89 B13R1.5 NCC(Cc1ccc(cc1)OC)C 1P01A3JX [1,0,0,0,0,0|2,0,1]=4 90 B13R1.5 NCC(Oc1ccc(cc1)OC)C 1P003FDG [1,0,0,0,0,0|1,0,1]=3 91 B13R1.5 NCC(Oc1ccc(cc1)OC)C 1P00HUFD [1,0,0,0,0,0|1,0,1]=3 92 B13R1.5 OCC(Cc1ccc(cc1)OC)N 1P0021TZ [1,0,0,0,0,0|2,0,1]=4 93 B13R1.5 OC[C@H](Cc1ccc(cc1)OC)N 1P00BJSO [1,0,0,0,0,0|2,0,1]=4 94 B13R1.133 Br[C@@H](C(=O)O)Cc1ccc(cc1)Cl 1P027USB [1,0,0,0,0,0|3,0,0]=4 95 B13R1.133 CC(C(=O)N)Cc1ccc(cc1)Br 1P028D8C [1,0,0,0,0,0|3,0,0]=4 96 B13R1.133 CC(C(=O)N)Nc1ccc(cc1)Br 1P025GE7 [1,0,0,0,0,0|3,0,0]=4 97 B13R1.133 CC(C(=O)N)Nc1ccc(cc1)F 1P028JAQ [1,0,0,0,0,0|3,0,0]=4 98 B13R1.133 CC(C(=O)N)Oc1ccc(cc1)Br 1P00C96L [1,0,0,0,0,0|2,0,0]=3 99 B13R1.133 CC(C(=O)N)Oc1ccc(cc1)Cl 1P028YKV [1,0,0,0,0,0|2,0,0]=3 100 B13R1.133 CC(C(=O)N)Oc1ccc(cc1)O 1P019Q7G [1,0,0,0,0,0|1,0,0]=2 101 B13R1.133 CC(C(=O)O)Cc1ccc(cc1)Br 1P00FGV0 [1,0,0,0,0,0|2,0,0]=3 102 B13R1.133 CC(C(=O)O)Cc1ccc(cc1)C 1P01A5PZ [1,0,0,0,0,0|1,0,0]=2 103 B13R1.133 CC(C(=O)O)Cc1ccc(cc1)Cl 1P008SRD [1,0,0,0,0,0|2,0,0]=3 104 B13R1.133 CC(C(=O)O)Cc1ccc(cc1)F 1P00BCD1 [1,0,0,0,0,0|2,0,0]=3 105 B13R1.133 CC(C(=O)O)Nc1ccc(cc1)F 1P00HZLJ [1,0,0,0,0,0|2,0,0]=3 106 B13R1.133 CC(C(=O)O)Oc1ccc(cc1)Br 1P00C6FT [1,0,0,0,0,0|1,0,0]=2 107 B13R1.133 CC(C(=O)O)Oc1ccc(cc1)C 1P00BDEM [1,0,0,0,0,0|0,0,0]=1 108 B13R1.133 CC(C(=O)O)Oc1ccc(cc1)Cl 1P0029TI [1,0,0,0,0,0|1,0,0]=2 109 B13R1.133 CC(C(=O)O)Oc1ccc(cc1)F 1P002ZIA [1,0,0,0,0,0|1,0,0]=2 110 B13R1.133 CC(C(=O)O)Sc1ccc(cc1)Br 1P019VYW [1,0,0,0,0,0|1,1,0]=3 111 B13R1.133 CC(C(=O)O)Sc1ccc(cc1)C 1P002026 [1,0,0,0,0,0|0,1,0]=2 112 B13R1.133 CC(C(=O)O)Sc1ccc(cc1)Cl 1P007U1Q [1,0,0,0,0,0|1,1,0]=3 113 B13R1.133 CC(C(=O)O)Sc1ccc(cc1)F 1P01BKPD [1,0,0,0,0,0|1,1,0]=3 114 B13R1.133 CC(C(=O)O)Sc1ccc(cc1)N 1P01BA35 [1,0,0,0,0,0|1,1,0]=3 115 B13R1.133 CN(C(=O)N)Cc1ccc(cc1)C 1P019X3Y [1,0,0,0,0,0|3,0,0]=4 116 B13R1.133 C[C@@H](C(=O)O)Cc1ccc(cc1)C 1P028OKS [1,0,0,0,0,0|1,0,0]=2 117 B13R1.133 C[C@@H](C(=O)O)Cc1ccc(cc1)F 1P028P3U [1,0,0,0,0,0|2,0,0]=3 118 B13R1.133 C[C@@H](C(=O)O)Nc1ccc(cc1)Cl 1P01BH6K [1,0,0,0,0,0|2,0,0]=3 119 B13R1.133 C[C@@H](C(=O)O)Oc1ccc(cc1)Br 1P01B853 [1,0,0,0,0,0|1,0,0]=2 120 B13R1.133 C[C@@H](C(=O)O)Oc1ccc(cc1)I 1P007IAC [1,0,0,0,0,0|1,0,0]=2 121 B13R1.133 C[C@H](C(=O)O)Cc1ccc(cc1)C 1P028PRH [1,0,0,0,0,0|1,0,0]=2 122 B13R1.133 C[C@H](C(=O)O)Cc1ccc(cc1)F 1P028ORT [1,0,0,0,0,0|2,0,0]=3 123 B13R1.133 C\C(=C/c1ccc(cc1)Cl)\C(=O)O 1P007ZFB [1,0,0,0,0,0|2,0,1]=4 124 B13R1.133 C\C(=C/c1ccc(cc1)F)\C(=O)O 1P00BJD1 [1,0,0,0,0,0|2,0,1]=4 125 B13R1.133 FC(C(=O)O)Cc1ccc(cc1)N 1P028QEM [1,0,0,0,0,0|3,0,0]=4 126 B13R1.133 NC(C(=O)C)Cc1ccc(cc1)O 1P0291AI [1,0,0,0,0,0|3,0,0]=4 127 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)Br 1P0034F7 [1,0,0,0,0,0|3,0,0]=4 128 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)C 1P00D8PJ [1,0,0,0,0,0|2,0,0]=3 129 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)C 1P01B1Q1 [1,0,0,0,0,0|2,0,0]=3 130 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)Cl 1P00359C [1,0,0,0,0,0|3,0,0]=4 131 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)Cl 1P00I51D [1,0,0,0,0,0|3,0,0]=4 132 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)F 1P0035XD [1,0,0,0,0,0|3,0,0]=4 133 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)F 1P01A2XR [1,0,0,0,0,0|3,0,0]=4 134 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)I 1P00I54Q [1,0,0,0,0,0|3,0,0]=4 135 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)N 1P00III7 [1,0,0,0,0,0|3,0,0]=4 136 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)S 1P01EJ9X [1,0,0,0,0,0|2,1,0]=4 137 B13R1.133 N[C@@H](C(=O)O)Cc1ccc(cc1)Br 1P0034F4 [1,0,0,0,0,0|3,0,0]=4 138 B13R1.133 N[C@@H](C(=O)O)Cc1ccc(cc1)C 1P003M8L [1,0,0,0,0,0|2,0,0]=3 139 B13R1.133 N[C@@H](C(=O)O)Cc1ccc(cc1)Cl 1P001DH3 [1,0,0,0,0,0|3,0,0]=4 140 B13R1.133 N[C@@H](C(=O)O)Cc1ccc(cc1)Cl 1P001F1I [1,0,0,0,0,0|3,0,0]=4 141 B13R1.133 N[C@@H](C(=O)O)Cc1ccc(cc1)F 1P000K0T [1,0,0,0,0,0|3,0,0]=4 142 B13R1.133 N[C@@H](C(=O)O)Cc1ccc(cc1)F 1P00238Q [1,0,0,0,0,0|3,0,0]=4 143 B13R1.133 N[C@@H](C(=O)O)Cc1ccc(cc1)I 1P003U93 [1,0,0,0,0,0|3,0,0]=4 144 B13R1.133 N[C@@H](C(=O)O)Cc1ccc(cc1)N 1P0007JX [1,0,0,0,0,0|3,0,0]=4 145 B13R1.133 N[C@H](C(=O)N)Cc1ccc(cc1)O 1P0035KR [1,0,0,0,0,0|3,0,0]=4 146 B13R1.133 N[C@H](C(=O)N)Cc1ccc(cc1)O 1P00D9NN [1,0,0,0,0,0|3,0,0]=4 147 B13R1.133 N[C@H](C(=O)N)Cc1ccc(cc1)O 1P01KKJ3 [1,0,0,0,0,0|3,0,0]=4 148 B13R1.133 N[C@H](C(=O)O)Cc1ccc(cc1)Br 1P001DH1 [1,0,0,0,0,0|3,0,0]=4 149 B13R1.133 N[C@H](C(=O)O)Cc1ccc(cc1)C 1P002CCZ [1,0,0,0,0,0|2,0,0]=3 150 B13R1.133 N[C@H](C(=O)O)Cc1ccc(cc1)Cl 1P001HEQ [1,0,0,0,0,0|3,0,0]=4 151 B13R1.133 N[C@H](C(=O)O)Cc1ccc(cc1)F 1P00EBUW [1,0,0,0,0,0|3,0,0]=4 152 B13R1.133 N[C@H](C(=O)O)Cc1ccc(cc1)F 1P00HD54 [1,0,0,0,0,0|3,0,0]=4 153 B13R1.133 N[C@H](C(=O)O)Cc1ccc(cc1)I 1P001HEO [1,0,0,0,0,0|3,0,0]=4 154 B13R1.133 N[C@H](C(=O)O)Cc1ccc(cc1)N 1P002Y8E [1,0,0,0,0,0|3,0,0]=4 155 B13R1.133 N[C@H](C(=O)O)Cc1ccc(cc1)N 1P00EB8K [1,0,0,0,0,0|3,0,0]=4 156 B13R1.133 N[C@H](C(=O)O)Cc1ccc(cc1)N 1P01L05Y [1,0,0,0,0,0|3,0,0]=4 157 B13R1.133 N[C@H](C(=O)[O-])Cc1ccc(cc1)O 1P005TV2 [1,0,0,0,0,0|2,0,1]=4 158 B13R1.133 O=C(C(=O)O)Cc1ccc(cc1)C 1P00CPAL [1,0,0,0,0,0|2,0,1]=4 159 B13R1.133 O=C(C(=O)O)Nc1ccc(cc1)C 1P00C961 [1,0,0,0,0,0|2,0,1]=4 160 B13R1.133 O=C(C(=O)O)Sc1ccc(cc1)C 1P01KL2W [1,0,0,0,0,0|1,1,1]=4 161 B13R1.133 OC(=O)C(Cc1ccc(cc1)O)C 1P01NX3T [1,0,0,0,0,0|1,0,0]=2 162 B13R1.133 OC(=O)C(Cc1ccc(cc1)O)N 1P003QBE [1,0,0,0,0,0|2,0,0]=3 163 B13R1.133 OC(=O)C(Cc1ccc(cc1)O)O 1P00I67U [1,0,0,0,0,0|2,0,0]=3 164 B13R1.133 OC(=O)C(Cc1ccc(nc1)O)N 1P0286RP [1,0,0,0,0,0|3,0,0]=4 165 B13R1.133 OC(=O)C(Oc1ccc(cc1)O)C 1P003FD6 [1,0,0,0,0,0|0,0,0]=1 166 B13R1.133 OC(=O)[C@@H](Cc1ccc(cc1)O)N 1P00383R [1,0,0,0,0,0|2,0,0]=3 167 B13R1.133 OC(=O)[C@@H](Cc1ccc(cc1)O)O 1P006ORN [1,0,0,0,0,0|2,0,0]=3 168 B13R1.133 OC(=O)[C@@H](Oc1ccc(cn1)Br)C 1P0293MD [1,0,0,0,0,0|2,0,0]=3 169 B13R1.133 OC(=O)[C@@H](Oc1ccc(nc1)F)C 1P0288EL [1,0,0,0,0,0|2,0,0]=3 170 B13R1.133 OC(=O)[C@H](Cc1ccc(cc1)O)N 1P001YPS [1,0,0,0,0,0|2,0,0]=3 171 B13R1.133 OC(=O)[C@H](Cc1ccc(cc1)O)N 1P00F3FF [1,0,0,0,0,0|2,0,0]=3 172 B13R1.133 OC(=O)[C@H](Cc1ccc(cc1)O)O 1P002NWS [1,0,0,0,0,0|2,0,0]=3 173 B13R1.133 OC(=O)[C@H](Oc1ccc(cc1)O)C 1P003CLL [1,0,0,0,0,0|0,0,0]=1 174 B13R1.133 OC(C(=O)O)Cc1ccc(cc1)Br 1P01BWUX [1,0,0,0,0,0|3,0,0]=4 175 B13R1.133 OC(C(=O)O)Cc1ccc(cc1)C 1P01BWV2 [1,0,0,0,0,0|2,0,0]=3 176 B13R1.133 OC(C(=O)O)Cc1ccc(cc1)Cl 1P002NOC [1,0,0,0,0,0|3,0,0]=4 177 B13R1.133 OC(C(=O)O)Cc1ccc(cc1)F 1P01BWUY [1,0,0,0,0,0|3,0,0]=4 178 B13R1.133 O[13C](=O)[13C@H]([13CH2][13c]1[13cH][13cH][13c]([13cH][13cH]1)O)[15NH2] 1P00C25T [1,0,0,0,0,0|2,0,0]=3 179 B13R1.133 O[C@@H](C(=O)O)Cc1ccc(cc1)Br 1P000B4Q [1,0,0,0,0,0|3,0,0]=4 180 B13R1.133 O[C@@H](C(=O)O)Cc1ccc(cc1)F 1P000NEL [1,0,0,0,0,0|3,0,0]=4 181 B13R1.133 O[C@H](C(=O)O)Cc1ccc(cc1)Br 1P00IE46 [1,0,0,0,0,0|3,0,0]=4 182 B13R1.133 O[C@H](C(=O)O)Cc1ccc(cc1)F 1P000NEM [1,0,0,0,0,0|3,0,0]=4 183 B13R1.133 O[C@H](C(=O)O)Cc1ccc(cc1)N 1P006KFC [1,0,0,0,0,0|3,0,0]=4 184 B13R1.133 Oc1ccc(cc1)CC(=O)C(=O)O 1P001OVV [1,0,0,0,0,0|2,0,1]=4 185 B13R1.133 Oc1ccc(cc1)C[C@@H](C(=O)O)N 1P005XIK [1,0,0,0,0,0|2,0,0]=3 186 B13R1.133 Oc1ccc(cc1)C[C@@H](C(=O)O)N 1P00APCO [1,0,0,0,0,0|2,0,0]=3 187 B15R1.3 CCc1ccc(cc1)OC(C(=O)NN)C 1P00653W [0,1,0,0,0,0|2,0,0]=3 188 B15R1.3 COC(=O)C(Cc1ccc(cc1)OC)N 1P01DU4C [0,1,0,0,0,0|2,0,0]=3 189 B15R1.3 COC(=O)C(Oc1ccc(cc1)C=O)C 1P006CK9 [0,1,0,0,0,0|2,0,0]=3 190 B15R1.3 COC(=O)[C@@H](Cc1ccc(cc1)OC)N 1P008XUT [0,1,0,0,0,0|2,0,0]=3 191 B15R1.3 COC(=O)[C@H](Cc1ccc(cc1)CC)N 1P01P3JR [0,1,0,0,0,0|3,0,0]=4 192 B15R1.3 COc1ccc(cc1)CC(=O)C(=O)OC 1P027TP5 [0,1,0,0,0,0|2,0,1]=4 193 B15R1.3 ClCC(=O)N(Cc1ccc(cc1)OC)C 1P019KHS [0,1,0,0,0,0|3,0,0]=4 194 B15R1.3 NNC(=O)C(Oc1ccc(cc1)C#N)C 1P019JLM [0,1,0,0,0,0|3,0,0]=4 195 B15R1.3 NNC(=O)C(Oc1ccc(cc1)C#N)C 1P01FJK6 [0,1,0,0,0,0|3,0,0]=4 196 B15R1.3 NNC(=O)C(Oc1ccc(cc1)OC)C 1P00I4KH [0,1,0,0,0,0|1,0,0]=2 197 B15R1.6 COc1ccc(cc1)C(C(C(=O)O)N)O 1P00DNGH [0,1,0,0,0,0|2,0,0]=3 198 B15R1.16 CCCc1ccc(cc1)OC(C(=O)O)C 1P00JGLN [0,1,0,0,0,0|1,0,0]=2 199 B15R1.16 CCOc1ccc(cc1)CC(C(=O)O)C 1P01C3PM [0,1,0,0,0,0|1,0,0]=2 200 B15R1.16 CCOc1ccc(cc1)CC(C(=O)O)N 1P00GI20 [0,1,0,0,0,0|2,0,0]=3 201 B15R1.16 CCOc1ccc(cc1)C[C@@H](C(=O)O)N 1P00C7N8 [0,1,0,0,0,0|2,0,0]=3 202 B15R1.16 CCOc1ccc(cc1)C[C@H](C(=O)O)N 1P00AGXT [0,1,0,0,0,0|2,0,0]=3 203 B15R1.16 CCOc1ccc(cc1)OC(C(=O)O)C 1P003WXU [0,1,0,0,0,0|0,0,0]=1 204 B15R1.208 CN[C@@H](C(=O)O)Cc1ccc(cc1)OC 1P01JN4X [0,1,0,0,0,0|1,0,0]=2 205 B15R1.208 CN[C@H](C(=O)O)Cc1ccc(cc1)OC 1P00D9AD [0,1,0,0,0,0|1,0,0]=2 206 B15R1.208 COc1ccc(cc1)CC(C(=O)O)OC 1P018Y6Q [0,1,0,0,0,0|1,0,0]=2 207 B15R1.208 COc1ccc(cc1)\C=C(\C(=O)O)/C#N 1P003O8P [0,1,0,0,0,0|1,0,2]=4 208 B15R1.208 NCC(C(=O)O)Cc1ccc(cc1)OC 1P00FB0C [0,1,0,0,0,0|1,0,0]=2 209 B15R1.216 CCc1ccc(cc1)OC(C(=O)O)(C)C 1P001ZY4 [0,1,0,0,0,0|1,0,0]=2 210 B15R1.216 COc1ccc(cc1)CC(C(=O)O)(C)C 1P01E6VR [0,1,0,0,0,0|1,0,0]=2 211 B15R1.216 COc1ccc(cc1)NC(C(=O)O)(C)C 1P007FVJ [0,1,0,0,0,0|1,0,0]=2 212 B15R1.216 COc1ccc(cc1)OC(C(=O)O)(C)C 1P0020LJ [0,1,0,0,0,0|0,0,0]=1 213 B15R1.216 N#Cc1ccc(cc1)OC(C(=O)O)(C)C 1P008LBI [0,1,0,0,0,0|2,0,0]=3 214 B15R1.216 NCc1ccc(cc1)CC(C(=O)O)(C)C 1P01FIRU [0,1,0,0,0,0|3,0,0]=4 215 B15R1.216 O=Cc1ccc(cc1)OC(C(=O)O)(F)F 1P01AH12 [0,1,0,0,0,0|3,0,0]=4 216 B15R1.495 CC(C(=O)O)Oc1ccc(cc1)C(=O)C 1P00H1TV [0,1,0,0,0,0|1,0,0]=2 217 B15R1.495 CC(C(=O)O)Oc1ccc(cc1)C(C)C 1P006VLF [0,1,0,0,0,0|1,0,0]=2 218 B15R1.495 CC(C(=O)O)Sc1ccc(cc1)C(C)C 1P01BYBL [0,1,0,0,0,0|1,1,0]=3 219 B15R1.495 NC(C(=O)O)Cc1ccc(cc1)C(=O)C 1P009XPE [0,1,0,0,0,0|3,0,0]=4 220 B15R1.495 NC(C(=O)O)Cc1ccc(cc1)C(=O)C 1P00C1LD [0,1,0,0,0,0|3,0,0]=4 221 B15R1.495 NC(C(=O)O)Cc1ccc(cc1)C(C)C 1P01JNFD [0,1,0,0,0,0|3,0,0]=4 222 B15R1.495 NC(C(=O)O)Cc1ccc(cc1)N(C)C 1P005P4Y [0,1,0,0,0,0|3,0,0]=4 223 B15R1.495 N[C@@H](C(=O)O)Cc1ccc(cc1)C(=O)C 1P00A1IH [0,1,0,0,0,0|3,0,0]=4 224 B15R1.495 N[C@@H](C(=O)O)Cc1ccc(cc1)C(C)C 1P005B8Q [0,1,0,0,0,0|3,0,0]=4 225 B15R1.495 N[C@H](C(=O)O)Cc1ccc(cc1)C(=O)C 1P0017WT [0,1,0,0,0,0|3,0,0]=4 226 B15R1.495 N[C@H](C(=O)O)Cc1ccc(cc1)C(=O)C 1P002938 [0,1,0,0,0,0|3,0,0]=4 227 B15R1.495 N[C@H](C(=O)O)Cc1ccc(cc1)C(C)C 1P007101 [0,1,0,0,0,0|3,0,0]=4 228 B15R1.495 N[C@H](C(=O)O)Cc1ccc(cc1)C(C)C 1P01XDMC [0,1,0,0,0,0|3,0,0]=4 229 B15R1.495 OC(=O)C(Cc1ccc(cc1)[N+](=O)[O-])C 1P024SFS [0,1,0,0,0,0|3,0,0]=4 230 B15R1.495 OC(=O)C(Oc1ccc(cc1)[N+](=O)[O-])C 1P001863 [0,1,0,0,0,0|2,0,0]=3 231 B15R1.495 OC(=O)C(Sc1ccc(cc1)[N+](=O)[O-])C 1P019O6U [0,1,0,0,0,0|2,1,0]=4 232 B15R1.495 OC(=O)[C@H](Nc1ccc(cc1)[N+](=O)[O-])C 1P005LSS [0,1,0,0,0,0|3,0,0]=4 233 B15R1.1855 COc1ccc(c(c1)C)C[C@@H](C(=O)O)N 1P01XC45 [0,1,0,0,0,0|2,0,0]=3 234 B15R1.1855 COc1ccc(c(c1)Cl)C[C@@H](C(=O)O)N 1P01JMYG [0,1,0,0,0,0|2,0,0]=3 235 B15R1.1855 COc1ccc(c(c1)Cl)C[C@@H](C(=O)O)N 1P01XCM1 [0,1,0,0,0,0|2,0,0]=3 236 B15R1.1855 COc1ccc(c(c1)F)C[C@@H](C(=O)O)N 1P01JN2Q [0,1,0,0,0,0|2,0,0]=3 237 B15R1.1855 COc1ccc(c(c1)F)C[C@H](C(=O)O)N 1P01JN1H [0,1,0,0,0,0|2,0,0]=3 238 B15R1.1855 O=Cc1ccc(c(c1)Cl)OC(C(=O)O)C 1P005FF4 [0,1,0,0,0,0|2,0,0]=3 239 B15R1.3777 COc1ccc(cc1Br)CC(=O)C(=O)O 1P0286ME [0,1,0,0,0,0|2,0,1]=4 240 B15R1.3777 COc1ccc(cc1C)C[C@@H](C(=O)O)N 1P00FI0F [0,1,0,0,0,0|2,0,0]=3 241 B15R1.3777 COc1ccc(cc1F)CC(C(=O)O)C 1P01A697 [0,1,0,0,0,0|1,0,0]=2 242 B15R1.3777 COc1ccc(cc1F)C[C@@H](C(=O)O)N 1P01JN7G [0,1,0,0,0,0|2,0,0]=3 243 B15R1.3777 COc1ccc(cc1F)C[C@H](C(=O)O)N 1P01JN7I [0,1,0,0,0,0|2,0,0]=3 244 B15R1.3777 COc1ccc(cc1O)CC(C(=O)O)N 1P01LBFU [0,1,0,0,0,0|2,0,0]=3 245 B15R2.451 C#Cc1ccc(cc1)C2CC2C(=O)O 1P028Y0S [0,0,0,1,0,0|2,0,1]=4 246 B15R2.451 COc1ccc(cc1)C2CC2C(=O)C 1P01B9V2 [0,0,0,1,0,0|2,0,0]=3 247 B15R2.451 COc1ccc(cc1)C2CC2C(=O)O 1P00IHGI [0,0,0,1,0,0|1,0,0]=2 248 B15R2.451 COc1ccc(cc1)[C@H]2C[C@@H]2C(=O)C 1P01B9W8 [0,0,0,1,0,0|2,0,0]=3 249 B15R2.451 COc1ccc(cc1)[C@H]2C[C@@H]2C(=O)C 1P024KPM [0,0,0,1,0,0|2,0,0]=3 250 B15R2.451 N#Cc1ccc(cc1)[C@@H]2C[C@H]2C(=O)O 1P01A39N [0,0,0,1,0,0|3,0,0]=4 251 B15R2.4834 COc1ccc2c(c1)CC(O2)C(=O)O 1P00IIC9 [0,0,0,1,0,0|0,0,0]=1 252 B15R2.4834 COc1ccc2c(c1)CN(C2)C(=O)N 1P0287XJ [0,0,0,1,0,0|3,0,0]=4 253 B15R2.4834 COc1ccc2c(c1)OC(C2)C(=O)O 1P01DRQ2 [0,0,0,1,0,0|2,0,0]=3 254 B15R2.4834 COc1ccc2c(c1)[nH]c(c2)C(=O)O 1P001XRD [0,0,0,1,0,0|2,0,1]=4 255 B15R2.4834 COc1ccc2c(c1)cc([nH]2)C(=O)O 1P003NB1 [0,0,0,1,0,0|1,0,2]=4 256 B15R2.4834 COc1ccc2c(c1)cc(o2)C(=O)O 1P0007W6 [0,0,0,1,0,0|0,0,2]=3 257 B15R2.4834 COc1ccc2c(c1)cc(s2)C(=O)O 1P002MG4 [0,0,0,1,0,0|0,1,2]=4 258 B15R2.4834 COc1ccc2c(c1)nc([nH]2)C(=O)O 1P004FBK [0,0,0,1,0,0|2,0,1]=4 259 B15R2.4834 COc1ccc2c(c1)nc(s2)C(=O)O 1P006SBA [0,0,0,1,0,0|1,1,1]=4 260 B15R2.4834 COc1ccc2c(c1)oc(c2)C(=O)O 1P00DJI2 [0,0,0,1,0,0|2,0,1]=4 261 B15R2.4834 COc1ccc2c(c1)sc(c2)C(=O)O 1P00084P [0,0,0,1,0,0|2,0,1]=4 262 B15R2.4834 COc1ccc2c(c1)sc(n2)C(=O)O 1P00IIUI [0,0,0,1,0,0|2,0,1]=4 263 B15R2.4834 COc1ccc2c(n1)NC(C2)C(=O)O 1P01FIRO [0,0,0,1,0,0|3,0,0]=4 264 B15R2.4834 COc1ccc2c(n1)cc(o2)C(=O)O 1P01B37H [0,0,0,1,0,0|1,0,2]=4 265 B15R2.21336 COc1ccc2c(c1)NC(=O)C(O2)C 1P00F1IH [0,0,0,1,0,0|1,0,0]=2 266 B15R2.21336 COc1ccc2c(c1)nc(c(c2)C)O 1P00H5BP [0,0,0,1,0,0|2,0,1]=4 267 B15R2.21336 COc1ccc2c(c1)oc(=O)c(c2)Br 1P005VTP [0,0,0,1,0,0|2,0,1]=4 268 B15R2.21336 O=Cc1ccc2c(c1)NC(=O)C(O2)C 1P00BHUL [0,0,0,1,0,0|3,0,0]=4 269 B13R1.36 BrCc1ccc(cc1)C(C(=O)O)C 1P003FBR [0,0,0,0,1,0|2,0,0]=3 270 B13R1.36 CC(c1ccc(cc1)C#N)C(=O)O 1P00CM2I [0,0,0,0,1,0|2,0,0]=3 271 B13R1.36 CCc1ccc(cc1)C(=O)C(=O)O 1P00KZOI [0,0,0,0,1,0|2,0,1]=4 272 B13R1.36 CCc1ccc(cc1)C(C(=O)O)C 1P01AAHQ [0,0,0,0,1,0|1,0,0]=2 273 B13R1.36 CCc1ccc(cc1)C(C(=O)O)N 1P00BZ2I [0,0,0,0,1,0|2,0,0]=3 274 B13R1.36 CCc1ccc(cc1)C(C(=O)O)O 1P01G12M [0,0,0,0,1,0|2,0,0]=3 275 B13R1.36 COc1ccc(cc1)C(=O)C(=O)C 1P01EBEI [0,0,0,0,1,0|2,0,1]=4 276 B13R1.36 COc1ccc(cc1)C(=O)C(=O)N 1P028LRA [0,0,0,0,1,0|2,0,1]=4 277 B13R1.36 COc1ccc(cc1)C(=O)C(=O)O 1P00FFU7 [0,0,0,0,1,0|1,0,1]=3 278 B13R1.36 COc1ccc(cc1)C(C(=O)C)C 1P019TTD [0,0,0,0,1,0|1,0,0]=2 279 B13R1.36 COc1ccc(cc1)C(C(=O)O)C 1P00IIFA [0,0,0,0,1,0|0,0,0]=1 280 B13R1.36 COc1ccc(cc1)C(C(=O)O)N 1P002BLC [0,0,0,0,1,0|1,0,0]=2 281 B13R1.36 COc1ccc(cc1)C(C(=O)O)N 1P0070MZ [0,0,0,0,1,0|1,0,0]=2 282 B13R1.36 COc1ccc(cc1)C(C(=O)O)O 1P003ATM [0,0,0,0,1,0|1,0,0]=2 283 B13R1.36 COc1ccc(cc1)C(C(N)C)C 1P019TWF [0,0,0,0,1,0|2,0,1]=4 284 B13R1.36 COc1ccc(cc1)C(C(O)C)N 1P028PG9 [0,0,0,0,1,0|2,0,1]=4 285 B13R1.36 COc1ccc(cc1)N(C(=O)N)C 1P028E0H [0,0,0,0,1,0|2,0,0]=3 286 B13R1.36 COc1ccc(cc1)[C@@H](C(=O)O)C 1P01B6WP [0,0,0,0,1,0|0,0,0]=1 287 B13R1.36 COc1ccc(cc1)[C@@H](C(=O)O)N 1P002P5R [0,0,0,0,1,0|1,0,0]=2 288 B13R1.36 COc1ccc(cc1)[C@H](C(=O)N)N 1P00FCW9 [0,0,0,0,1,0|2,0,0]=3 289 B13R1.36 COc1ccc(cc1)[C@H](C(=O)O)C 1P028T45 [0,0,0,0,1,0|0,0,0]=1 290 B13R1.36 COc1ccc(cc1)[C@H](C(=O)O)N 1P002P5Q [0,0,0,0,1,0|1,0,0]=2 291 B13R1.36 COc1ccc(cc1)[C@H](C(=O)O)O 1P002JCM [0,0,0,0,1,0|1,0,0]=2 292 B13R1.36 CSc1ccc(cc1)C(C(=O)O)N 1P024HA2 [0,0,0,0,1,0|1,1,0]=3 293 B13R1.36 ClCc1ccc(cc1)C(C(=O)O)C 1P0059KO [0,0,0,0,1,0|2,0,0]=3 294 B13R1.36 ClCc1ccc(cc1)C(C(=O)O)N 1P028L4F [0,0,0,0,1,0|3,0,0]=4 295 B13R1.36 NCc1ccc(cc1)C(C(=O)O)N 1P01BA28 [0,0,0,0,1,0|3,0,0]=4 296 B13R1.36 O=Cc1ccc(cc1)C(C(=O)O)C 1P006ZSA [0,0,0,0,1,0|2,0,0]=3 297 B13R1.36 OCc1ccc(cc1)C(C(=O)O)N 1P01B5NO [0,0,0,0,1,0|3,0,0]=4 298 B13R1.36 O[C@@H](c1ccc(cc1)C#N)C(=O)O 1P027WV1 [0,0,0,0,1,0|3,0,0]=4 299 B13R1.36 O[C@H](c1ccc(cc1)C#N)C(=O)O 1P0280WC [0,0,0,0,1,0|3,0,0]=4 300 B15R1.204 COc1ccc(cc1)CN(CC(=O)O)C 1P00G3J4 [0,0,0,0,0,1|2,0,0]=3 301 B15R1.204 COc1ccc(cc1)C[C@@H](CC(=O)O)N 1P008DJR [0,0,0,0,0,1|2,0,0]=3 302 B15R1.204 COc1ccc(cc1)C[C@@H](CC(=O)O)N 1P01XIM7 [0,0,0,0,0,1|2,0,0]=3 303 B15R1.204 COc1ccc(cc1)C[C@H](CC(=O)O)N 1P00261L [0,0,0,0,0,1|2,0,0]=3 304 B15R1.204 COc1ccc(cc1)C[C@H](CC(=O)O)N 1P018QN5 [0,0,0,0,0,1|2,0,0]=3 305 B15R1.204 COc1ccc(cc1)NC(=O)CC(=O)O 1P00EEI5 [0,0,0,0,0,1|2,0,1]=4 306 B15R1.205 COc1ccc(cc1)CCC(C(=O)O)C 1P02802W [0,0,0,0,0,1|1,0,0]=2 307 B15R1.205 COc1ccc(cc1)CC[C@@H](C(=O)O)N 1P00501A [0,0,0,0,0,1|2,0,0]=3 308 B12R1.21 CC(=O)CCc1ccc(cc1)C 1P003KL3 [2,0,0,0,0,0|2,0,0]=4 309 B12R1.21 CC(=O)CCc1ccc(cc1)O 1P003KKN [2,0,0,0,0,0|2,0,0]=4 310 B12R1.21 CC(=O)COc1ccc(cc1)Br 1P007SWC [2,0,0,0,0,0|2,0,0]=4 311 B12R1.21 CC(=O)CSc1ccc(cc1)C 1P000QJ1 [2,0,0,0,0,0|1,1,0]=4 312 B12R1.21 CC(COc1ccc(cc1)C)O 1P003DH6 [2,0,0,0,0,0|1,0,1]=4 313 B12R1.21 ClC(=O)COc1ccc(cc1)C 1P001O5A [2,0,0,0,0,0|1,0,0]=3 314 B12R1.21 ClC(=O)COc1ccc(cc1)Cl 1P003LOG [2,0,0,0,0,0|2,0,0]=4 315 B12R1.21 NC(=O)CCc1ccc(cc1)O 1P007NI0 [2,0,0,0,0,0|2,0,0]=4 316 B12R1.21 NC(=O)COc1ccc(cc1)Br 1P00C8XG [2,0,0,0,0,0|2,0,0]=4 317 B12R1.21 NC(=O)COc1ccc(cc1)Cl 1P00CRWF [2,0,0,0,0,0|2,0,0]=4 318 B12R1.21 NC(=O)COc1ccc(cc1)N 1P00EAVN [2,0,0,0,0,0|2,0,0]=4 319 B12R1.21 NC(=O)COc1ccc(cc1)O 1P01AKK7 [2,0,0,0,0,0|1,0,0]=3 320 B12R1.21 NC(=S)COc1ccc(cc1)C 1P019NW2 [2,0,0,0,0,0|1,1,0]=4 321 B12R1.21 OC(=O)C#Cc1ccc(cc1)C 1P006ZJ0 [2,0,0,0,0,0|1,0,1]=4 322 B12R1.21 OC(=O)C=Cc1ccc(cc1)C 1P003M8E [2,0,0,0,0,0|1,0,1]=4 323 B12R1.21 OC(=O)C=Cc1ccc(cc1)O 1P005VCI [2,0,0,0,0,0|1,0,1]=4 324 B12R1.21 OC(=O)CCc1ccc(cc1)Br 1P001V8C [2,0,0,0,0,0|2,0,0]=4 325 B12R1.21 OC(=O)CCc1ccc(cc1)C 1P001N4H [2,0,0,0,0,0|1,0,0]=3 326 B12R1.21 OC(=O)CCc1ccc(cc1)Cl 1P0039CX [2,0,0,0,0,0|2,0,0]=4 327 B12R1.21 OC(=O)CCc1ccc(cc1)F 1P0033X5 [2,0,0,0,0,0|2,0,0]=4 328 B12R1.21 OC(=O)CCc1ccc(cc1)I 1P001V8D [2,0,0,0,0,0|2,0,0]=4 329 B12R1.21 OC(=O)CCc1ccc(cc1)N 1P007OWB [2,0,0,0,0,0|2,0,0]=4 330 B12R1.21 OC(=O)CCc1ccc(cc1)N 1P01XLU7 [2,0,0,0,0,0|2,0,0]=4 331 B12R1.21 OC(=O)CCc1ccc(cc1)O 1P003IL8 [2,0,0,0,0,0|1,0,0]=3 332 B12R1.21 OC(=O)CCc1ccc(cc1)S 1P003M2K [2,0,0,0,0,0|1,1,0]=4 333 B12R1.21 OC(=O)CCc1ccc(nc1)C 1P00HEZW [2,0,0,0,0,0|2,0,0]=4 334 B12R1.21 OC(=O)CCc1ccc(nc1)C 1P0282DC [2,0,0,0,0,0|2,0,0]=4 335 B12R1.21 OC(=O)CNc1ccc(cc1)C 1P00BGWF [2,0,0,0,0,0|1,0,0]=3 336 B12R1.21 OC(=O)CNc1ccc(cc1)Cl 1P00DDBO [2,0,0,0,0,0|2,0,0]=4 337 B12R1.21 OC(=O)CNc1ccc(cc1)F 1P00C911 [2,0,0,0,0,0|2,0,0]=4 338 B12R1.21 OC(=O)CNc1ccc(cc1)O 1P00170H [2,0,0,0,0,0|1,0,0]=3 339 B12R1.21 OC(=O)COc1ccc(cc1)Br 1P002GZL [2,0,0,0,0,0|1,0,0]=3 340 B12R1.21 OC(=O)COc1ccc(cc1)C 1P003CD3 [2,0,0,0,0,0|0,0,0]=2 341 B12R1.21 OC(=O)COc1ccc(cc1)Cl 1P00170G [2,0,0,0,0,0|1,0,0]=3 342 B12R1.21 OC(=O)COc1ccc(cc1)F 1P003LWI [2,0,0,0,0,0|1,0,0]=3 343 B12R1.21 OC(=O)COc1ccc(cc1)I 1P002GZK [2,0,0,0,0,0|1,0,0]=3 344 B12R1.21 OC(=O)COc1ccc(cc1)N 1P001TCY [2,0,0,0,0,0|1,0,0]=3 345 B12R1.21 OC(=O)COc1ccc(cc1)N 1P007PL9 [2,0,0,0,0,0|1,0,0]=3 346 B12R1.21 OC(=O)COc1ccc(cc1)O 1P002GYE [2,0,0,0,0,0|0,0,0]=2 347 B12R1.21 OC(=O)COc1ccc(cn1)Br 1P005J49 [2,0,0,0,0,0|2,0,0]=4 348 B12R1.21 OC(=O)COc1ccc(cn1)Cl 1P01DTUD [2,0,0,0,0,0|2,0,0]=4 349 B12R1.21 OC(=O)COc1ccc(cn1)F 1P01DTVR [2,0,0,0,0,0|2,0,0]=4 350 B12R1.21 OC(=O)COc1ccc(nc1)Br 1P02841C [2,0,0,0,0,0|2,0,0]=4 351 B12R1.21 OC(=O)COc1ccc(nc1)Cl 1P024H48 [2,0,0,0,0,0|2,0,0]=4 352 B12R1.21 OC(=O)COc1ccc(nc1)F 1P028I03 [2,0,0,0,0,0|2,0,0]=4 353 B12R1.21 OC(=O)CSc1ccc(cc1)Br 1P00CM5B [2,0,0,0,0,0|1,1,0]=4 354 B12R1.21 OC(=O)CSc1ccc(cc1)C 1P003M95 [2,0,0,0,0,0|0,1,0]=3 355 B12R1.21 OC(=O)CSc1ccc(cc1)Cl 1P003F54 [2,0,0,0,0,0|1,1,0]=4 356 B12R1.21 OC(=O)CSc1ccc(cc1)F 1P003CCK [2,0,0,0,0,0|1,1,0]=4 357 B12R1.21 OC(=O)CSc1ccc(cc1)N 1P003FBE [2,0,0,0,0,0|1,1,0]=4 358 B12R1.21 OC(=O)CSc1ccc(cc1)O 1P00D7Q2 [2,0,0,0,0,0|0,1,0]=3 359 B12R1.21 OC(=O)\C=C\c1ccc(cc1)C 1P0038Z7 [2,0,0,0,0,0|1,0,1]=4 360 B12R1.21 OC(=O)\C=C\c1ccc(cc1)O 1P00I9F1 [2,0,0,0,0,0|1,0,1]=4 361 B12R1.21 [O-]C(=O)COc1ccc(cc1)Cl 1P0013JC [2,0,0,0,0,0|1,0,1]=4 362 B12R1.71 BrCCOc1ccc(cc1)OC 1P002LZ2 [2,0,0,0,0,0|1,0,1]=4 363 B12R1.71 CCc1ccc(cc1)CCC=O 1P008XXS [2,0,0,0,0,0|2,0,0]=4 364 B12R1.71 COc1ccc(cc1)C=CC=O 1P00AQIR [2,0,0,0,0,0|1,0,1]=4 365 B12R1.71 COc1ccc(cc1)CCC=O 1P0029QT [2,0,0,0,0,0|1,0,0]=3 366 B12R1.71 COc1ccc(cc1)CNC=O 1P00HZV5 [2,0,0,0,0,0|2,0,0]=4 367 B12R1.71 COc1ccc(cc1)COC=O 1P00170F [2,0,0,0,0,0|2,0,0]=4 368 B12R1.71 COc1ccc(cc1)OCC#C 1P01G5VQ [2,0,0,0,0,0|1,0,1]=4 369 B12R1.71 COc1ccc(cc1)OCC#N 1P003M4U [2,0,0,0,0,0|1,0,1]=4 370 B12R1.71 COc1ccc(cc1)SCC=O 1P01BIUX [2,0,0,0,0,0|0,1,0]=3 371 B12R1.71 COc1ccc(cc1)\C=C\C=O 1P002PGX [2,0,0,0,0,0|1,0,1]=4 372 B12R1.71 ClCCOc1ccc(cc1)OC 1P00C9EA [2,0,0,0,0,0|1,0,1]=4 373 B12R1.71 NCCOc1ccc(cc1)OC 1P003FDF [2,0,0,0,0,0|1,0,1]=4 374 B12R1.71 NCCOc1ccc(cc1)OC 1P01673Y [2,0,0,0,0,0|1,0,1]=4 375 B12R1.71 OCCCc1ccc(cc1)OC 1P003ILL [2,0,0,0,0,0|1,0,1]=4 376 B12R1.71 OCCOc1ccc(cc1)OC 1P00DD8Y [2,0,0,0,0,0|0,0,1]=3 377 B12R1.71 SCCOc1ccc(cc1)OC 1P01A8LL [2,0,0,0,0,0|0,1,1]=4 378 B12R1.4 CCc1ccc(cc1)OC(=O)C 1P003O3C [2,0,0,0,0,0|1,0,1]=4 379 B12R1.4 CNc1ccc(cc1)OC(C)C 1P01BE8O [2,0,0,0,0,0|1,0,1]=4 380 B12R1.4 COc1ccc(cc1)CC(=O)C 1P00170J [2,0,0,0,0,0|1,0,1]=4 381 B12R1.4 COc1ccc(cc1)CC(O)C 1P00304I [2,0,0,0,0,0|1,0,0]=3 382 B12R1.4 COc1ccc(cc1)NC(=O)C 1P003STL [2,0,0,0,0,0|1,0,1]=4 383 B12R1.4 COc1ccc(cc1)NC(C)C 1P001VNB [2,0,0,0,0,0|1,0,1]=4 384 B12R1.4 COc1ccc(cc1)NC(C)C 1P01AA4M [2,0,0,0,0,0|1,0,1]=4 385 B12R1.4 COc1ccc(cc1)OC(=O)Cl 1P003M58 [2,0,0,0,0,0|1,0,1]=4 386 B12R1.4 COc1ccc(cc1)SC(C)C 1P005O3I [2,0,0,0,0,0|0,1,1]=4 387 B12R1.49 CCC(Oc1ccc(cc1)O)C 1P0068LX [2,0,0,0,0,0|1,0,1]=4 388 B12R1.49 NCC(Oc1ccc(cc1)C)C 1P00EADF [2,0,0,0,0,0|1,0,1]=4 389 B12R1.49 O=CC(Cc1ccc(cc1)C)Cl 1P01BY9A [2,0,0,0,0,0|2,0,0]=4 390 B12R1.49 OC[C@@H](Oc1ccc(cc1)Cl)C 1P004KL8 [2,0,0,0,0,0|1,0,1]=4 391 B12R1.43 BrC(C(=O)O)Cc1ccccc1 1P001VON [2,0,0,0,0,0|2,0,0]=4 392 B12R1.43 Br[C@@H](C(=O)O)Cc1ccccc1 1P0070OH [2,0,0,0,0,0|2,0,0]=4 393 B12R1.43 Br[C@H](C(=O)O)Cc1ccccc1 1P00I7EC [2,0,0,0,0,0|2,0,0]=4 394 B12R1.43 CC(=Cc1ccccc1)C(=O)O 1P000QB8 [2,0,0,0,0,0|1,0,1]=4 395 B12R1.43 CC(C(=O)C)Cc1ccccc1 1P00C216 [2,0,0,0,0,0|2,0,0]=4 396 B12R1.43 CC(C(=O)Cl)Cc1ccccc1 1P01BCIQ [2,0,0,0,0,0|2,0,0]=4 397 B12R1.43 CC(C(=O)Cl)Oc1ccccc1 1P001704 [2,0,0,0,0,0|1,0,0]=3 398 B12R1.43 CC(C(=O)O)Cc1ccccc1 1P0003L8 [2,0,0,0,0,0|1,0,0]=3 399 B12R1.43 CC(C(=O)O)Cc1ccncc1 1P00CKM4 [2,0,0,0,0,0|2,0,0]=4 400 B12R1.43 CC(C(=O)O)Cc1ccncc1 1P028NU0 [2,0,0,0,0,0|2,0,0]=4 401 B12R1.43 CC(C(=O)O)Oc1ccccc1 1P003IBB [2,0,0,0,0,0|0,0,0]=2 402 B12R1.43 CC(C(=O)O)Sc1ccccc1 1P002029 [2,0,0,0,0,0|0,1,0]=3 403 B12R1.43 C[C@@H](C(=O)O)Cc1ccccc1 1P01BBO7 [2,0,0,0,0,0|1,0,0]=3 404 B12R1.43 C[C@@H](C(=O)O)Cc1ccncc1 1P028ODP [2,0,0,0,0,0|2,0,0]=4 405 B12R1.43 C[C@@H](C(=O)O)Nc1ccccc1 1P001PT8 [2,0,0,0,0,0|1,0,0]=3 406 B12R1.43 C[C@@H](C(=O)O)Nc1ccncc1 1P027U03 [2,0,0,0,0,0|2,0,0]=4 407 B12R1.43 C[C@@H](C(=O)O)Oc1ccccc1 1P002FKF [2,0,0,0,0,0|0,0,0]=2 408 B12R1.43 C[C@H](C(=O)O)Cc1ccccc1 1P01BBWK [2,0,0,0,0,0|1,0,0]=3 409 B12R1.43 C[C@H](C(=O)O)Cc1ccncc1 1P028NWN [2,0,0,0,0,0|2,0,0]=4 410 B12R1.43 C[C@H](C(=O)O)Oc1ccccc1 1P0078YZ [2,0,0,0,0,0|0,0,0]=2 411 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O 1P002E6F [2,0,0,0,0,0|1,0,1]=4 412 B12R1.43 NC(C(=O)O)Cc1ccccc1 1P003RTV [2,0,0,0,0,0|2,0,0]=4 413 B12R1.43 N[C@@H](C(=O)O)Cc1ccccc1 1P00359U [2,0,0,0,0,0|2,0,0]=4 414 B12R1.43 N[C@H](C(=O)O)C[13c]1[13cH][13cH][13cH][13cH][13cH]1 1P00JOC8 [2,0,0,0,0,0|2,0,0]=4 415 B12R1.43 N[C@H](C(=O)O)Cc1ccccc1 1P001MO4 [2,0,0,0,0,0|2,0,0]=4 416 B12R1.43 N[C@H](C(=O)O)Cc1ccccc1 1P0021PS [2,0,0,0,0,0|2,0,0]=4 417 B12R1.43 OC(=O)C(Cc1ccccn1)C 1P0005RH [2,0,0,0,0,0|2,0,0]=4 418 B12R1.43 OC(=O)C(Cc1ccccn1)C 1P028B8G [2,0,0,0,0,0|2,0,0]=4 419 B12R1.43 OC(=O)C(Oc1ccccn1)C 1P01C2FK [2,0,0,0,0,0|1,0,0]=3 420 B12R1.43 OC(=O)C(Oc1cccnc1)C 1P00D5IY [2,0,0,0,0,0|1,0,0]=3 421 B12R1.43 OC(=O)C(Sc1ccccn1)C 1P00CI5Q [2,0,0,0,0,0|1,1,0]=4 422 B12R1.43 OC(=O)[C@@H](Cc1cccnc1)C 1P028PB3 [2,0,0,0,0,0|2,0,0]=4 423 B12R1.43 OC(=O)[C@H](Cc1cccnc1)C 1P028QM0 [2,0,0,0,0,0|2,0,0]=4 424 B12R1.43 OC(C(=O)O)Cc1ccccc1 1P004TVQ [2,0,0,0,0,0|2,0,0]=4 425 B12R1.43 O[C@@H](C(=O)O)Cc1ccccc1 1P005FS8 [2,0,0,0,0,0|2,0,0]=4 426 B12R1.43 O[C@H](C(=O)O)Cc1ccccc1 1P00735M [2,0,0,0,0,0|2,0,0]=4 427 B12R1.43 SC(C(=O)O)Cc1ccccc1 1P00GU3B [2,0,0,0,0,0|2,0,0]=4 428 B12R1.43 S[C@@H](C(=O)O)Cc1ccccc1 1P028TTD [2,0,0,0,0,0|2,0,0]=4 429 B14R1.2 CCc1ccc(cc1)C(CC(=O)O)C 1P00VSUB [1,1,0,0,0,0|2,0,0]=4 430 B14R1.2 CCc1ccc(cc1)[C@@H](CC(=O)O)N 1P01XCVD [1,1,0,0,0,0|2,0,0]=4 431 B14R1.2 CCc1ccc(cc1)[C@H](CC(=O)O)N 1P01XDSF [1,1,0,0,0,0|2,0,0]=4 432 B14R1.2 COc1ccc(cc1)C(=O)CC(=O)C 1P00C753 [1,1,0,0,0,0|2,0,0]=4 433 B14R1.2 COc1ccc(cc1)C(CC(=O)O)C 1P00VSUD [1,1,0,0,0,0|1,0,0]=3 434 B14R1.2 COc1ccc(cc1)C(CC(=O)O)N 1P003JBI [1,1,0,0,0,0|1,0,0]=3 435 B14R1.2 COc1ccc(cc1)[C@@H](CC(=O)O)C 1P0280FT [1,1,0,0,0,0|1,0,0]=3 436 B14R1.2 COc1ccc(cc1)[C@@H](CC(=O)O)N 1P00101F [1,1,0,0,0,0|1,0,0]=3 437 B14R1.2 COc1ccc(cc1)[C@H](CC(=O)O)C 1P028A88 [1,1,0,0,0,0|1,0,0]=3 438 B14R1.2 COc1ccc(cc1)[C@H](CC(=O)O)N 1P00101G [1,1,0,0,0,0|1,0,0]=3 439 B14R1.2 COc1ccc(cc1)\C(=C\C(=O)O)\C 1P019UMF [1,1,0,0,0,0|1,0,1]=4 440 B14R1.2 COc1ccc(cn1)C(CC(=O)O)N 1P005DBE [1,1,0,0,0,0|2,0,0]=4 441 B14R1.2 COc1ccc(cn1)[C@@H](CC(=O)O)N 1P005KIE [1,1,0,0,0,0|2,0,0]=4 442 B14R1.2 COc1ccc(cn1)[C@H](CC(=O)O)N 1P004K3A [1,1,0,0,0,0|2,0,0]=4 443 B14R1.2 CSc1ccc(cc1)C(CC(=O)O)N 1P00BZ2A [1,1,0,0,0,0|1,1,0]=4 444 B14R1.5 COC(=O)CCc1ccc(cc1)CC 1P01A6CY [1,1,0,0,0,0|2,0,0]=4 445 B14R1.5 COC(=O)CCc1ccc(cc1)NC 1P01ACOO [1,1,0,0,0,0|2,0,0]=4 446 B14R1.5 COC(=O)CCc1ccc(cc1)NC 1P028EZT [1,1,0,0,0,0|2,0,0]=4 447 B14R1.5 COC(=O)CCc1ccc(cc1)OC 1P001QJ1 [1,1,0,0,0,0|1,0,0]=3 448 B14R1.5 COC(=O)COc1ccc(cc1)C#N 1P003RZA [1,1,0,0,0,0|2,0,0]=4 449 B14R1.5 COC(=O)COc1ccc(cc1)C=O 1P005YJJ [1,1,0,0,0,0|2,0,0]=4 450 B14R1.5 COC(=O)COc1ccc(cc1)NC 1P01A784 [1,1,0,0,0,0|1,0,0]=3 451 B14R1.5 COC(=O)COc1ccc(cc1)OC 1P00GHYC [1,1,0,0,0,0|0,0,0]=2 452 B14R1.5 COC(=O)CSc1ccc(cc1)OC 1P01FC7B [1,1,0,0,0,0|0,1,0]=3 453 B14R1.5 COC(=O)\C=C\c1ccc(cc1)OC 1P0050U8 [1,1,0,0,0,0|1,0,1]=4 454 B14R1.5 COc1ccc(cc1)C#CC(=O)OC 1P005QZ6 [1,1,0,0,0,0|1,0,1]=4 455 B14R1.5 COc1ccc(cc1)CCC(=NO)C 1P01A80V [1,1,0,0,0,0|2,0,0]=4 456 B14R1.5 COc1ccc(cc1)OC\C(=N\O)\N 1P00FAEY [1,1,0,0,0,0|1,0,0]=3 457 B14R1.5 NNC(=O)CCc1ccc(cc1)OC 1P00160X [1,1,0,0,0,0|2,0,0]=4 458 B14R1.5 NNC(=O)CNc1ccc(cc1)OC 1P005K1Z [1,1,0,0,0,0|2,0,0]=4 459 B14R1.5 NNC(=O)COc1ccc(cc1)OC 1P003FDC [1,1,0,0,0,0|1,0,0]=3 460 B14R1.5 OCc1ccc(cc1)OCC(=O)OC 1P000E3E [1,1,0,0,0,0|2,0,0]=4 461 B14R1.5 ONC(=O)CCc1ccc(cc1)OC 1P019XGT [1,1,0,0,0,0|1,0,0]=3 462 B14R1.103 COc1ccc(c(c1)Br)CCC(=O)O 1P01B6ZZ [1,1,0,0,0,0|1,0,0]=3 463 B14R1.103 COc1ccc(c(c1)Br)OCC(=O)O 1P028QBD [1,1,0,0,0,0|0,0,0]=2 464 B14R1.103 COc1ccc(c(c1)C)CCC(=O)C 1P01EKCB [1,1,0,0,0,0|2,0,0]=4 465 B14R1.103 COc1ccc(c(c1)C)\C=C\C(=O)O 1P01EMIE [1,1,0,0,0,0|1,0,1]=4 466 B14R1.103 COc1ccc(c(c1)F)CCC(=O)O 1P008GBP [1,1,0,0,0,0|1,0,0]=3 467 B14R1.103 COc1ccc(c(c1)F)\C=C\C(=O)O 1P005LCT [1,1,0,0,0,0|1,0,1]=4 468 B14R1.103 N#Cc1ccc(c(c1)Cl)OCC(=O)O 1P019YEC [1,1,0,0,0,0|2,0,0]=4 469 B14R1.103 O=Cc1ccc(c(c1)Br)OCC(=O)O 1P019T0C [1,1,0,0,0,0|2,0,0]=4 470 B14R1.103 O=Cc1ccc(c(c1)Cl)OCC(=O)O 1P00DBBN [1,1,0,0,0,0|2,0,0]=4 471 B14R1.142 CCOc1ccc(cc1)CCC(=O)O 1P003IKX [1,1,0,0,0,0|1,0,0]=3 472 B14R1.142 CCOc1ccc(cc1)OCC(=N)N 1P00J1WT [1,1,0,0,0,0|2,0,0]=4 473 B14R1.142 CCOc1ccc(cc1)OCC(=O)O 1P00DDDB [1,1,0,0,0,0|0,0,0]=2 474 B14R1.142 CCOc1ccc(cc1)SCC(=O)O 1P00DTVO [1,1,0,0,0,0|0,1,0]=3 475 B14R1.142 CCOc1ccc(cc1)\C=C\C(=O)O 1P007NWZ [1,1,0,0,0,0|1,0,1]=4 476 B14R1.142 N#CCc1ccc(cc1)OCC(=O)O 1P019Y3M [1,1,0,0,0,0|1,0,1]=4 477 B14R1.142 NCCc1ccc(cc1)CCC(=O)O 1P01DXV9 [1,1,0,0,0,0|2,0,0]=4 478 B14R1.142 NCCc1ccc(cc1)OCC(=O)N 1P019UWW [1,1,0,0,0,0|2,0,0]=4 479 B14R1.142 NCCc1ccc(cc1)OCC(=O)O 1P00DMC2 [1,1,0,0,0,0|1,0,0]=3 480 B14R1.419 CC(c1ccc(cc1)CCC(=O)O)C 1P00EH3X [1,1,0,0,0,0|2,0,0]=4 481 B14R1.419 CC(c1ccc(cc1)OCC(=O)Cl)C 1P003M1Y [1,1,0,0,0,0|2,0,0]=4 482 B14R1.419 CC(c1ccc(cc1)OCC(=O)O)C 1P001V8I [1,1,0,0,0,0|1,0,0]=3 483 B14R1.419 CC(c1ccc(cc1)OCC(=O)O)N 1P01ELVX [1,1,0,0,0,0|1,0,0]=3 484 B14R1.419 CC(c1ccc(cc1)SCC(=O)O)C 1P019V2P [1,1,0,0,0,0|1,1,0]=4 485 B14R1.419 CN(c1ccc(cc1)CCC(=O)O)C 1P000959 [1,1,0,0,0,0|2,0,0]=4 486 B14R1.419 CN(c1ccc(cc1)CCC(=O)O)C 1P008QQJ [1,1,0,0,0,0|2,0,0]=4 487 B14R1.419 NC(=O)COc1ccc(cc1)C(=O)C 1P0074IJ [1,1,0,0,0,0|2,0,0]=4 488 B14R1.419 NC(=O)COc1ccc(cc1)C(N)C 1P019Q8I [1,1,0,0,0,0|2,0,0]=4 489 B14R1.419 OC(=O)CCc1ccc(cc1)C(=O)C 1P01K998 [1,1,0,0,0,0|2,0,0]=4 490 B14R1.419 OC(=O)COc1ccc(cc1)B(O)O 1P007X5D [1,1,0,0,0,0|2,0,0]=4 491 B14R1.419 OC(=O)COc1ccc(cc1)C(=O)C 1P002GYH [1,1,0,0,0,0|1,0,0]=3 492 B14R1.419 OC(=O)COc1ccc(cc1)C(=O)N 1P00BG2K [1,1,0,0,0,0|2,0,0]=4 493 B14R1.419 OC(=O)COc1ccc(cc1)C(=O)O 1P00APWI [1,1,0,0,0,0|2,0,0]=4 494 B14R1.419 OC(=O)COc1ccc(cc1)[N+](=O)[O-] 1P0027QV [1,1,0,0,0,0|2,0,0]=4 495 B14R1.419 OC(=O)CSc1ccc(cc1)C(=O)C 1P028FLG [1,1,0,0,0,0|1,1,0]=4 496 B14R1.3653 COc1ccc(cc1Br)C=CC(=O)O 1P007E5B [1,1,0,0,0,0|1,0,1]=4 497 B14R1.3653 COc1ccc(cc1Br)CCC(=O)C 1P01IMTW [1,1,0,0,0,0|2,0,0]=4 498 B14R1.3653 COc1ccc(cc1Br)CCC(=O)O 1P00AN4B [1,1,0,0,0,0|1,0,0]=3 499 B14R1.3653 COc1ccc(cc1Br)\C=C\C(=O)O 1P001NUM [1,1,0,0,0,0|1,0,1]=4 500 B14R1.3653 COc1ccc(cc1C)CCC(=O)O 1P00C4ZV [1,1,0,0,0,0|1,0,0]=3 501 B14R1.3653 COc1ccc(cc1C)OCC(=O)O 1P01A0XF [1,1,0,0,0,0|0,0,0]=2 502 B14R1.3653 COc1ccc(cc1C)\C=C\C(=O)O 1P0021KV [1,1,0,0,0,0|1,0,1]=4 503 B14R1.3653 COc1ccc(cc1Cl)C=CC(=O)O 1P019Q4H [1,1,0,0,0,0|1,0,1]=4 504 B14R1.3653 COc1ccc(cc1Cl)CCC(=O)O 1P003IIV [1,1,0,0,0,0|1,0,0]=3 505 B14R1.3653 COc1ccc(cc1Cl)\C=C\C(=O)O 1P003IIU [1,1,0,0,0,0|1,0,1]=4 506 B14R1.3653 COc1ccc(cc1F)CCC(=O)O 1P00FHKN [1,1,0,0,0,0|1,0,0]=3 507 B14R1.3653 COc1ccc(cc1F)\C=C\C(=O)O 1P00IWYD [1,1,0,0,0,0|1,0,1]=4 508 B14R1.3653 COc1ccc(cc1N)CCC(=O)O 1P019ZRR [1,1,0,0,0,0|1,0,0]=3 509 B14R1.3653 COc1ccc(cc1O)C=CC(=O)O 1P00C58Z [1,1,0,0,0,0|1,0,1]=4 510 B14R1.3653 COc1ccc(cc1O)CCC(=O)C 1P01BEAF [1,1,0,0,0,0|2,0,0]=4 511 B14R1.3653 COc1ccc(cc1O)CCC(=O)O 1P008WOA [1,1,0,0,0,0|1,0,0]=3 512 B14R1.3653 COc1ccc(cc1O)\C=C\C(=O)O 1P00346M [1,1,0,0,0,0|1,0,1]=4 513 B14R1.3653 N#Cc1ccc(cc1Br)OCC(=O)O 1P01C258 [1,1,0,0,0,0|2,0,0]=4 514 B14R1.24 CCCc1ccc(cc1)CC(C=O)C 1P01BTXC [1,1,0,0,0,0|2,0,0]=4 515 B14R1.24 CCOc1ccc(cc1)OC(CCl)C 1P023PG0 [1,1,0,0,0,0|1,0,1]=4 516 B14R1.215 CCc1ccc(cc1)CC(C=O)(C)C 1P00FDCV [1,1,0,0,0,0|2,0,0]=4 517 B14R1.2879 O=CC(Cc1ccc(cc1)C(C)C)C 1P003ILA [1,1,0,0,0,0|2,0,0]=4 518 B14R1.3276 O=CC(Cc1ccc(c(c1)F)OC)C 1P01A7ET [1,1,0,0,0,0|1,0,0]=3 519 B14R1.3276 OCC(Cc1ccc(c(c1)F)OC)C 1P01A6H6 [1,1,0,0,0,0|1,0,1]=4 520 B14R1.132 CC(C(C(=O)O)C)c1ccc(cc1)Cl 1P028WJN [1,1,0,0,0,0|2,0,0]=4 521 B14R1.132 CC(C(C(=O)O)C)c1ccc(cc1)F 1P01DVU8 [1,1,0,0,0,0|2,0,0]=4 522 B14R1.132 CC(C(C(=O)O)O)c1ccc(cc1)C 1P019TOA [1,1,0,0,0,0|2,0,0]=4 523 B14R1.132 NC(C(C(=O)O)C)c1ccc(cc1)Br 1P01BFVT [1,1,0,0,0,0|2,0,0]=4 524 B14R1.132 OC(=O)C(C(c1ccc(cc1)O)N)O 1P027UQV [1,1,0,0,0,0|2,0,0]=4 525 B14R1.132 OC(=O)C(C(c1ccc(cc1)O)O)O 1P0001PM [1,1,0,0,0,0|2,0,0]=4 526 B14R1.134 CNC(=O)C(Oc1ccc(cc1)Cl)C 1P028AJ7 [1,1,0,0,0,0|2,0,0]=4 527 B14R1.134 COC(=O)C(Cc1ccc(cc1)C)Br 1P01BGUV [1,1,0,0,0,0|2,0,0]=4 528 B14R1.134 COC(=O)C(Cc1ccc(cc1)C)S 1P01BH1K [1,1,0,0,0,0|2,0,0]=4 529 B14R1.134 COC(=O)C(Cc1ccc(cc1)N)C 1P01AC3J [1,1,0,0,0,0|2,0,0]=4 530 B14R1.134 COC(=O)C(Cc1ccc(cc1)O)N 1P00FFSV [1,1,0,0,0,0|2,0,0]=4 531 B14R1.134 COC(=O)C(Cc1ccc(cc1)O)N 1P00HBIW [1,1,0,0,0,0|2,0,0]=4 532 B14R1.134 COC(=O)C(Oc1ccc(cc1)F)C 1P019UMK [1,1,0,0,0,0|1,0,0]=3 533 B14R1.134 COC(=O)C(Oc1ccc(cc1)O)C 1P003RZJ [1,1,0,0,0,0|0,0,0]=2 534 B14R1.134 COC(=O)[C@@H](Cc1ccc(cc1)O)N 1P00359X [1,1,0,0,0,0|2,0,0]=4 535 B14R1.134 COC(=O)[C@@H](Cc1ccc(cc1)O)N 1P00CAIO [1,1,0,0,0,0|2,0,0]=4 536 B14R1.134 COC(=O)[C@@H](Oc1ccc(cc1)O)C 1P01EMZO [1,1,0,0,0,0|0,0,0]=2 537 B14R1.134 COC(=O)[C@H](Cc1ccc(cc1)O)N 1P0032R5 [1,1,0,0,0,0|2,0,0]=4 538 B14R1.134 NNC(=O)C(Oc1ccc(cc1)Br)C 1P00BZLG [1,1,0,0,0,0|2,0,0]=4 539 B14R1.134 NNC(=O)C(Oc1ccc(cc1)C)C 1P004X1K [1,1,0,0,0,0|1,0,0]=3 540 B14R1.134 NNC(=O)C(Oc1ccc(cc1)F)C 1P00J1CO [1,1,0,0,0,0|2,0,0]=4 541 B14R1.134 NNC(=O)[C@H](Oc1ccc(cc1)O)C 1P027W5A [1,1,0,0,0,0|1,0,0]=3 542 B14R1.536 CCC(C(=O)O)Cc1ccc(cc1)N 1P01ACUC [1,1,0,0,0,0|2,0,0]=4 543 B14R1.536 CCC(C(=O)O)Oc1ccc(cc1)Br 1P00AADM [1,1,0,0,0,0|1,0,0]=3 544 B14R1.536 CCC(C(=O)O)Oc1ccc(cc1)C 1P007ZLG [1,1,0,0,0,0|0,0,0]=2 545 B14R1.536 CCC(C(=O)O)Oc1ccc(cc1)F 1P00APVF [1,1,0,0,0,0|1,0,0]=3 546 B14R1.536 CNC(C(=O)O)Cc1ccc(cc1)Br 1P027WD9 [1,1,0,0,0,0|2,0,0]=4 547 B14R1.536 CN[C@@H](C(=O)O)Cc1ccc(cc1)O 1P00ALAH [1,1,0,0,0,0|1,0,0]=3 548 B14R1.536 CN[C@H](C(=O)O)Cc1ccc(cc1)Br 1P027U68 [1,1,0,0,0,0|2,0,0]=4 549 B14R1.536 CN[C@H](C(=O)O)Cc1ccc(cc1)C 1P0201AI [1,1,0,0,0,0|1,0,0]=3 550 B14R1.536 CN[C@H](C(=O)O)Cc1ccc(cc1)O 1P003TOK [1,1,0,0,0,0|1,0,0]=3 551 B14R1.536 COC(C(=O)O)Cc1ccc(cc1)C 1P028WF9 [1,1,0,0,0,0|1,0,0]=3 552 B14R1.536 COC(C(=O)O)Cc1ccc(cc1)Cl 1P00ED9U [1,1,0,0,0,0|2,0,0]=4 553 B14R1.536 COC(C(=O)O)Cc1ccc(cc1)F 1P01BVFS [1,1,0,0,0,0|2,0,0]=4 554 B14R1.536 CO[C@H](C(=O)O)Cc1ccc(cc1)N 1P01KL7R [1,1,0,0,0,0|2,0,0]=4 555 B14R1.536 N#CC(C(=O)O)Cc1ccc(cc1)O 1P00IGTH [1,1,0,0,0,0|1,0,1]=4 556 B14R1.536 NCC(C(=O)O)Cc1ccc(cc1)Br 1P006RXC [1,1,0,0,0,0|2,0,0]=4 557 B14R1.536 NCC(C(=O)O)Cc1ccc(cc1)C 1P005XVQ [1,1,0,0,0,0|1,0,0]=3 558 B14R1.536 NCC(C(=O)O)Cc1ccc(cc1)C 1P01A23J [1,1,0,0,0,0|1,0,0]=3 559 B14R1.536 NCC(C(=O)O)Cc1ccc(cc1)Cl 1P01ABVA [1,1,0,0,0,0|2,0,0]=4 560 B14R1.536 NCC(C(=O)O)Cc1ccc(cc1)F 1P028UHX [1,1,0,0,0,0|2,0,0]=4 561 B14R1.536 NCC(C(=O)O)Oc1ccc(cc1)F 1P01A2X0 [1,1,0,0,0,0|1,0,0]=3 562 B14R1.686 NC(=O)C(Oc1ccc(c(c1)C)C)C 1P01A6IZ [1,1,0,0,0,0|1,0,0]=3 563 B14R1.686 OC(=O)C(Cc1ccc(c(c1)Br)F)C 1P01A11I [1,1,0,0,0,0|2,0,0]=4 564 B14R1.686 OC(=O)C(Cc1ccc(c(c1)Br)O)N 1P003JM5 [1,1,0,0,0,0|2,0,0]=4 565 B14R1.686 OC(=O)C(Cc1ccc(c(c1)C)C)N 1P008SHO [1,1,0,0,0,0|2,0,0]=4 566 B14R1.686 OC(=O)C(Cc1ccc(c(c1)Cl)Cl)C 1P01EKP4 [1,1,0,0,0,0|2,0,0]=4 567 B14R1.686 OC(=O)C(Cc1ccc(c(c1)Cl)O)N 1P00ICYQ [1,1,0,0,0,0|2,0,0]=4 568 B14R1.686 OC(=O)C(Cc1ccc(c(c1)F)C)N 1P00AN5W [1,1,0,0,0,0|2,0,0]=4 569 B14R1.686 OC(=O)C(Cc1ccc(c(c1)F)F)C 1P01DWSS [1,1,0,0,0,0|2,0,0]=4 570 B14R1.686 OC(=O)C(Cc1ccc(c(c1)F)O)N 1P003GTD [1,1,0,0,0,0|2,0,0]=4 571 B14R1.686 OC(=O)C(Cc1ccc(c(c1)O)O)C 1P00DDRD [1,1,0,0,0,0|1,0,0]=3 572 B14R1.686 OC(=O)C(Cc1ccc(c(c1)O)O)N 1P003QAF [1,1,0,0,0,0|2,0,0]=4 573 B14R1.686 OC(=O)C(Oc1ccc(c(c1)C)C)C 1P002R2L [1,1,0,0,0,0|0,0,0]=2 574 B14R1.686 OC(=O)C(Oc1ccc(c(c1)C)Cl)C 1P005GI7 [1,1,0,0,0,0|1,0,0]=3 575 B14R1.686 OC(=O)C(Oc1ccc(c(c1)Cl)Cl)C 1P00CU07 [1,1,0,0,0,0|1,0,0]=3 576 B14R1.686 OC(=O)C(Oc1ccc(c(c1)F)Cl)F 1P028M8P [1,1,0,0,0,0|2,0,0]=4 577 B14R1.686 OC(=O)C(Oc1ccc(c(c1)F)F)C 1P01A81K [1,1,0,0,0,0|1,0,0]=3 578 B14R1.686 OC(=O)C(Sc1ccc(c(c1)F)F)C 1P02906I [1,1,0,0,0,0|1,1,0]=4 579 B14R1.686 OC(=O)[C@@H](Cc1ccc(c(c1)Br)O)N 1P000M2S [1,1,0,0,0,0|2,0,0]=4 580 B14R1.686 OC(=O)[C@@H](Cc1ccc(c(c1)C)C)N 1P00GAOC [1,1,0,0,0,0|2,0,0]=4 581 B14R1.686 OC(=O)[C@@H](Cc1ccc(c(c1)Cl)O)N 1P00ACXE [1,1,0,0,0,0|2,0,0]=4 582 B14R1.686 OC(=O)[C@@H](Cc1ccc(c(c1)F)O)N 1P00EB5N [1,1,0,0,0,0|2,0,0]=4 583 B14R1.686 OC(=O)[C@@H](Cc1ccc(c(c1)I)O)N 1P00BGXB [1,1,0,0,0,0|2,0,0]=4 584 B14R1.686 OC(=O)[C@@H](Cc1ccc(c(c1)O)O)N 1P0037Z8 [1,1,0,0,0,0|2,0,0]=4 585 B14R1.686 OC(=O)[C@@H](Cc1ccc(c(c1)O)O)O 1P00ID8D [1,1,0,0,0,0|2,0,0]=4 586 B14R1.686 OC(=O)[C@H](Cc1ccc(c(c1)Br)O)N 1P00343J [1,1,0,0,0,0|2,0,0]=4 587 B14R1.686 OC(=O)[C@H](Cc1ccc(c(c1)Br)O)N 1P01EQLT [1,1,0,0,0,0|2,0,0]=4 588 B14R1.686 OC(=O)[C@H](Cc1ccc(c(c1)C)C)N 1P007ZN8 [1,1,0,0,0,0|2,0,0]=4 589 B14R1.686 OC(=O)[C@H](Cc1ccc(c(c1)C)O)N 1P007UUP [1,1,0,0,0,0|2,0,0]=4 590 B14R1.686 OC(=O)[C@H](Cc1ccc(c(c1)F)O)N 1P003JY2 [1,1,0,0,0,0|2,0,0]=4 591 B14R1.686 OC(=O)[C@H](Cc1ccc(c(c1)F)O)N 1P01DE49 [1,1,0,0,0,0|2,0,0]=4 592 B14R1.686 OC(=O)[C@H](Cc1ccc(c(c1)I)O)N 1P0031QX [1,1,0,0,0,0|2,0,0]=4 593 B14R1.686 OC(=O)[C@H](Cc1ccc(c(c1)N)O)N 1P002N7C [1,1,0,0,0,0|2,0,0]=4 594 B14R1.686 OC(=O)[C@H](Cc1ccc(c(c1)N)O)N 1P00I629 [1,1,0,0,0,0|2,0,0]=4 595 B14R1.686 OC(=O)[C@H](Cc1ccc(c(c1)O)O)N 1P0037HJ [1,1,0,0,0,0|2,0,0]=4 596 B14R1.6049 CC(=O)C(Oc1ccc(cc1Cl)Cl)C 1P00IZIR [1,1,0,0,0,0|2,0,0]=4 597 B14R1.6049 ClC(=O)C(Oc1ccc(cc1F)Br)C 1P01EN8I [1,1,0,0,0,0|2,0,0]=4 598 B14R1.6049 OC(=O)C(Cc1ccc(cc1Br)C)N 1P01FO3O [1,1,0,0,0,0|2,0,0]=4 599 B14R1.6049 OC(=O)C(Cc1ccc(cc1C)C)N 1P0096O2 [1,1,0,0,0,0|2,0,0]=4 600 B14R1.6049 OC(=O)C(Cc1ccc(cc1C)C)N 1P0292Z4 [1,1,0,0,0,0|2,0,0]=4 601 B14R1.6049 OC(=O)C(Cc1ccc(cc1Cl)C)N 1P01XDFT [1,1,0,0,0,0|2,0,0]=4 602 B14R1.6049 OC(=O)C(Cc1ccc(cc1Cl)C)N 1P028DRF [1,1,0,0,0,0|2,0,0]=4 603 B14R1.6049 OC(=O)C(Cc1ccc(cc1Cl)Cl)C 1P01AC03 [1,1,0,0,0,0|2,0,0]=4 604 B14R1.6049 OC(=O)C(Cc1ccc(cc1F)Br)C 1P028ZJG [1,1,0,0,0,0|2,0,0]=4 605 B14R1.6049 OC(=O)C(Cc1ccc(cc1F)F)C 1P01FS4Z [1,1,0,0,0,0|2,0,0]=4 606 B14R1.6049 OC(=O)C(Cc1ccc(cc1F)O)N 1P005KXK [1,1,0,0,0,0|2,0,0]=4 607 B14R1.6049 OC(=O)C(Nc1ccc(cc1Cl)Cl)C 1P01ABBA [1,1,0,0,0,0|2,0,0]=4 608 B14R1.6049 OC(=O)C(Oc1ccc(cc1Br)Br)C 1P00FOQ2 [1,1,0,0,0,0|1,0,0]=3 609 B14R1.6049 OC(=O)C(Oc1ccc(cc1Br)C)C 1P019VNB [1,1,0,0,0,0|0,0,0]=2 610 B14R1.6049 OC(=O)C(Oc1ccc(cc1Br)Cl)C 1P00VWZ5 [1,1,0,0,0,0|1,0,0]=3 611 B14R1.6049 OC(=O)C(Oc1ccc(cc1Br)F)C 1P019NMR [1,1,0,0,0,0|1,0,0]=3 612 B14R1.6049 OC(=O)C(Oc1ccc(cc1C)C)C 1P005SBU [1,1,0,0,0,0|0,0,0]=2 613 B14R1.6049 OC(=O)C(Oc1ccc(cc1C)Cl)C 1P00GRZZ [1,1,0,0,0,0|1,0,0]=3 614 B14R1.6049 OC(=O)C(Oc1ccc(cc1Cl)Br)C 1P00EH5O [1,1,0,0,0,0|1,0,0]=3 615 B14R1.6049 OC(=O)C(Oc1ccc(cc1Cl)Cl)C 1P000QHQ [1,1,0,0,0,0|1,0,0]=3 616 B14R1.6049 OC(=O)C(Oc1ccc(cc1Cl)F)C 1P002IJ3 [1,1,0,0,0,0|1,0,0]=3 617 B14R1.6049 OC(=O)C(Oc1ccc(cc1F)Br)C 1P019VYV [1,1,0,0,0,0|1,0,0]=3 618 B14R1.6049 OC(=O)C(Oc1ccc(cc1F)F)C 1P00DBCA [1,1,0,0,0,0|1,0,0]=3 619 B14R1.6049 OC(=O)[C@@H](Cc1ccc(cc1C)C)N 1P0072LY [1,1,0,0,0,0|2,0,0]=4 620 B14R1.6049 OC(=O)[C@@H](Cc1ccc(cc1Cl)C)N 1P028DAC [1,1,0,0,0,0|2,0,0]=4 621 B14R1.6049 OC(=O)[C@@H](Cc1ccc(cc1Cl)O)N 1P01JMUR [1,1,0,0,0,0|2,0,0]=4 622 B14R1.6049 OC(=O)[C@@H](Oc1ccc(cc1Cl)Cl)C 1P00B5AB [1,1,0,0,0,0|1,0,0]=3 623 B14R1.6049 OC(=O)[C@@H](Oc1ccc(cc1F)Br)C 1P0288VK [1,1,0,0,0,0|1,0,0]=3 624 B14R1.6049 OC(=O)[C@H](Cc1ccc(cc1C)C)N 1P002ROZ [1,1,0,0,0,0|2,0,0]=4 625 B14R1.6049 OC(=O)[C@H](Cc1ccc(cc1C)O)N 1P01HA11 [1,1,0,0,0,0|2,0,0]=4 626 B14R1.6049 OC(=O)[C@H](Cc1ccc(cc1Cl)C)N 1P028D6J [1,1,0,0,0,0|2,0,0]=4 627 B14R1.6049 OC(=O)[C@H](Cc1ccc(cc1Cl)O)N 1P005TB4 [1,1,0,0,0,0|2,0,0]=4 628 B14R1.6049 OC(=O)[C@H](Cc1ccc(cc1Cl)O)N 1P01XCCC [1,1,0,0,0,0|2,0,0]=4 629 B14R1.6049 OC(=O)[C@H](Cc1ccc(cc1F)C)N 1P000R3U [1,1,0,0,0,0|2,0,0]=4 630 B14R1.6049 OC(=O)[C@H](Cc1ccc(cc1F)O)N 1P005KDB [1,1,0,0,0,0|2,0,0]=4 631 B14R1.6049 OC(=O)[C@H](Cc1ccc(cc1F)O)N 1P01JJ1N [1,1,0,0,0,0|2,0,0]=4 632 B14R1.6049 OC(=O)[C@H](Oc1ccc(cc1C)Cl)C 1P00AQ2N [1,1,0,0,0,0|1,0,0]=3 633 B14R1.7626 Cc1ccc(nc1)OC(C(=O)O)(C)C 1P00H4KB [1,1,0,0,0,0|1,0,0]=3 634 B14R1.7626 Clc1ccc(cc1)OC(C(=O)Cl)(C)C 1P00D93B [1,1,0,0,0,0|2,0,0]=4 635 B14R1.7626 NC(=O)C(Oc1ccc(cc1)F)(C)C 1P00I8DA [1,1,0,0,0,0|2,0,0]=4 636 B14R1.7626 OC(=O)C(Cc1ccc(cc1)Cl)(N)C 1P01BS3Q [1,1,0,0,0,0|2,0,0]=4 637 B14R1.7626 OC(=O)C(Cc1ccc(cc1)F)(C)C 1P005RDH [1,1,0,0,0,0|2,0,0]=4 638 B14R1.7626 OC(=O)C(Cc1ccc(cc1)F)(N)C 1P01BS4V [1,1,0,0,0,0|2,0,0]=4 639 B14R1.7626 OC(=O)C(Nc1ccc(cc1)C)(C)C 1P0077V0 [1,1,0,0,0,0|1,0,0]=3 640 B14R1.7626 OC(=O)C(Nc1ccc(cc1)Cl)(C)C 1P001ZY2 [1,1,0,0,0,0|2,0,0]=4 641 B14R1.7626 OC(=O)C(Oc1ccc(cc1)Br)(C)C 1P008PPY [1,1,0,0,0,0|1,0,0]=3 642 B14R1.7626 OC(=O)C(Oc1ccc(cc1)Br)(F)F 1P01A8ML [1,1,0,0,0,0|2,0,0]=4 643 B14R1.7626 OC(=O)C(Oc1ccc(cc1)C)(C)C 1P002NP6 [1,1,0,0,0,0|0,0,0]=2 644 B14R1.7626 OC(=O)C(Oc1ccc(cc1)Cl)(C)C 1P0033BG [1,1,0,0,0,0|1,0,0]=3 645 B14R1.7626 OC(=O)C(Oc1ccc(cc1)Cl)(C)C 1P008L6X [1,1,0,0,0,0|1,0,0]=3 646 B14R1.7626 OC(=O)C(Oc1ccc(cc1)F)(C)C 1P00EEK4 [1,1,0,0,0,0|1,0,0]=3 647 B14R1.7626 OC(=O)C(Oc1ccc(cc1)N)(C)C 1P000E0H [1,1,0,0,0,0|1,0,0]=3 648 B14R1.7626 OC(=O)C(Sc1ccc(cc1)Br)(C)C 1P0077YT [1,1,0,0,0,0|1,1,0]=4 649 B14R1.7626 OC(=O)[C@@](Cc1ccc(cc1)F)(N)C 1P00C7Q4 [1,1,0,0,0,0|2,0,0]=4 650 B14R1.7626 OC(=O)[C@](Cc1ccc(cc1)F)(N)C 1P000VHN [1,1,0,0,0,0|2,0,0]=4 651 B14R1.7626 Oc1ccc(cc1)CC(C(=O)O)(C)C 1P01BS9A [1,1,0,0,0,0|1,0,0]=3 652 B14R1.7626 Oc1ccc(cc1)CC(C(=O)O)(N)C 1P003OAK [1,1,0,0,0,0|1,0,0]=3 653 B14R1.7626 Oc1ccc(cc1)C[C@@](C(=O)O)(N)C 1P003O93 [1,1,0,0,0,0|1,0,0]=3 654 B14R1.7626 Oc1ccc(cc1)C[C@](C(=O)O)(N)C 1P028TTT [1,1,0,0,0,0|1,0,0]=3 655 B14R1.7626 [O-]C(=O)C(Oc1ccc(cc1)C)(F)F 1P028O2J [1,1,0,0,0,0|1,0,1]=4 656 B14R1.8 CCC(c1ccc(cc1)C=O)C(=O)O 1P00DNZ0 [0,1,0,0,1,0|2,0,0]=4 657 B14R1.8 CCC(c1ccc(cc1)OC)C(=O)O 1P00C27A [0,1,0,0,1,0|0,0,0]=2 658 B14R1.8 CNC(c1ccc(cc1)OC)C(=O)O 1P0037C3 [0,1,0,0,1,0|0,0,0]=2 659 B14R1.8 COc1ccc(cc1)C(C(=O)O)OC 1P028MTJ [0,1,0,0,1,0|0,0,0]=2 660 B14R1.8 NCC(c1ccc(cc1)OC)C(=O)O 1P01JNDR [0,1,0,0,1,0|0,0,0]=2 661 B14R1.102 COc1ccc(c(c1)C)C(C(=O)O)C 1P01AGBN [0,1,0,0,1,0|0,0,0]=2 662 B14R1.102 COc1ccc(c(c1)Cl)C(C(=O)O)N 1P00IMSH [0,1,0,0,1,0|1,0,0]=3 663 B14R1.141 CCCc1ccc(cc1)C(C(=O)O)C 1P007ESK [0,1,0,0,1,0|1,0,0]=3 664 B14R1.141 CCOc1ccc(cc1)C(C(=O)O)C 1P028W57 [0,1,0,0,1,0|0,0,0]=2 665 B14R1.141 CCOc1ccc(cc1)C(C(=O)O)N 1P00BD3P [0,1,0,0,1,0|1,0,0]=3 666 B14R1.141 COCc1ccc(cc1)C(C(=O)O)C 1P01XC4V [0,1,0,0,1,0|0,0,0]=2 667 B14R1.213 C=Cc1ccc(cc1)C(C(=O)O)(C)C 1P009CO1 [0,1,0,0,1,0|1,0,1]=4 668 B14R1.213 CCc1ccc(cc1)C(C(=O)O)(C)C 1P000N3X [0,1,0,0,1,0|1,0,0]=3 669 B14R1.213 CCc1ccc(cc1)C(C(=O)O)(F)F 1P01WK6R [0,1,0,0,1,0|2,0,0]=4 670 B14R1.213 COc1ccc(cc1)C(C(=O)O)(C)C 1P002Z6S [0,1,0,0,1,0|0,0,0]=2 671 B14R1.213 COc1ccc(cc1)C(C(=O)O)(F)F 1P008U55 [0,1,0,0,1,0|1,0,0]=3 672 B14R1.213 COc1ccc(cc1)C(C(=O)O)(N)C 1P01AJD1 [0,1,0,0,1,0|0,0,0]=2 673 B14R1.213 COc1ccc(cc1)C(C(=O)O)(O)C 1P01KL3D [0,1,0,0,1,0|0,0,0]=2 674 B14R1.213 COc1ccc(cn1)C(C(=O)O)(F)F 1P01ELHC [0,1,0,0,1,0|2,0,0]=4 675 B14R1.213 COc1ccc(nc1)C(C(=O)O)(F)F 1P0291Q9 [0,1,0,0,1,0|2,0,0]=4 676 B14R1.213 N#Cc1ccc(cc1)C(C(=O)O)(C)C 1P01A1RR [0,1,0,0,1,0|2,0,0]=4 677 B14R1.3652 COc1ccc(cc1Br)C(C(=O)O)C 1P024ULK [0,1,0,0,1,0|0,0,0]=2 678 B14R1.3652 COc1ccc(cc1Br)C(C(=O)O)O 1P028XM9 [0,1,0,0,1,0|1,0,0]=3 679 B14R1.3652 COc1ccc(cc1F)C(C(=O)O)C 1P01E1P3 [0,1,0,0,1,0|0,0,0]=2 680 B14R1.3652 COc1ccc(cc1F)C(C(=O)O)N 1P00BEHS [0,1,0,0,1,0|1,0,0]=3 681 B14R1.6402 CC(c1ccc(cc1)C(=O)N)C(=O)O 1P001TLB [0,1,0,0,1,0|2,0,0]=4 682 B14R1.6402 CC(c1ccc(cc1)C(=O)O)C(=O)O 1P0062KY [0,1,0,0,1,0|2,0,0]=4 683 B14R1.6402 CC(c1ccc(cc1)C(F)F)C(=O)O 1P0291MT [0,1,0,0,1,0|2,0,0]=4 684 B14R1.6402 CC(c1ccc(cc1)N(C)C)C(=O)O 1P019U9Q [0,1,0,0,1,0|1,0,0]=3 685 B14R1.6402 NC(c1ccc(cc1)C(C)C)C(=O)O 1P000TN4 [0,1,0,0,1,0|2,0,0]=4 686 B14R1.6402 N[C@@H](c1ccc(cc1)C(C)C)C(=O)O 1P00ASQ8 [0,1,0,0,1,0|2,0,0]=4 687 B14R1.6402 OC(=O)C(c1ccc(cc1)[N+](=O)[O-])C 1P002CDN [0,1,0,0,1,0|2,0,0]=4 688 B14R1.6402 OC(=O)[C@@H](c1ccc(cc1)[N+](=O)[O-])C 1P01XCN0 [0,1,0,0,1,0|2,0,0]=4 689 B14R1.6402 O[C@H](c1ccc(cc1)C(C)C)C(=O)O 1P0280PT [0,1,0,0,1,0|2,0,0]=4 690 B16R1.201 COC(=O)C[C@@H](Cc1ccc(cc1)OC)N 1P0290W1 [0,1,0,0,0,1|2,0,0]=4 691 B16R1.201 COC(=O)C[C@H](Cc1ccc(cc1)OC)N 1P028XAP [0,1,0,0,0,1|2,0,0]=4 692 B16R1.197 COC(=O)C(CCc1ccc(cc1)OC)N 1P028MIA [0,1,0,0,0,1|2,0,0]=4 693 B16R1.213 COc1ccc(cc1)C(=O)CC(C(=O)O)C 1P00IANQ [0,1,0,0,0,1|1,0,0]=3 694 B16R1.8338 COc1ccc(cc1)CCC(C(=O)O)(N)C 1P019Z4R [0,1,0,0,0,1|1,0,0]=3 695 B16R1.13 CCOc1ccc(cc1)OC(C(=O)NN)C 1P019J19 [0,2,0,0,0,0|1,0,0]=3 696 B16R1.217 COC(=O)C(C(=O)c1ccc(cc1)OC)C 1P01AKVE [0,2,0,0,0,0|1,0,0]=3 697 B16R1.217 COC(=O)C(C(c1ccc(cc1)OC)O)N 1P00VVD8 [0,2,0,0,0,0|2,0,0]=4 698 B16R1.4958 CCOC(=O)C(Cc1ccc(cc1)OC)N 1P01DX50 [0,2,0,0,0,0|2,0,0]=4 699 B16R1.4958 CCOC(=O)[C@@H](Cc1ccc(cc1)OC)N 1P028LVR [0,2,0,0,0,0|2,0,0]=4 700 B16R1.4958 CCOC(=O)[C@H](Cc1ccc(cc1)OC)N 1P028KL3 [0,2,0,0,0,0|2,0,0]=4 701 B16R1.6949 NNC(=O)C(Oc1ccc(cc1)C(=O)C)C 1P019JN9 [0,2,0,0,0,0|2,0,0]=4 702 B16R1.6949 NNC(=O)C(Oc1ccc(cc1)C(C)C)C 1P00FDMZ [0,2,0,0,0,0|2,0,0]=4 703 B16R1.8346 COc1ccc(cc1)[C@@H](C(C(=O)O)(F)F)N 1P00HRXB [0,2,0,0,0,0|2,0,0]=4 704 B16R1.69 C#CCOc1ccc(cc1)C[C@@H](C(=O)O)N 1P00JKYF [0,2,0,0,0,0|2,0,0]=4 705 B16R1.69 CCCOc1ccc(cc1)C[C@H](C(=O)O)N 1P01JLXR [0,2,0,0,0,0|2,0,0]=4 706 B16R1.1283 CC(=O)Nc1ccc(cc1)SC(C(=O)O)C 1P019WBX [0,2,0,0,0,0|1,1,0]=4 707 B16R1.1283 CC(=O)Oc1ccc(cc1)C[C@@H](C(=O)O)N 1P003RUB [0,2,0,0,0,0|2,0,0]=4 708 B16R1.1283 NC(C(=O)O)Cc1ccc(cc1)OC(F)F 1P029281 [0,2,0,0,0,0|2,0,0]=4 709 B16R1.1283 N[C@H](C(=O)O)Cc1ccc(cc1)OC(C)C 1P01HYCT [0,2,0,0,0,0|2,0,0]=4 710 B16R1.3885 CCOc1ccc(cc1)OC(C(=O)O)(C)C 1P00AKRD [0,2,0,0,0,0|0,0,0]=2 711 B16R1.7182 CCOc1ccc(cc1)CC(C(=O)N)CN 1P019XTI [0,2,0,0,0,0|2,0,0]=4 712 B16R1.7182 CCOc1ccc(cc1)CC(C(=O)N)CN 1P01ABEB [0,2,0,0,0,0|2,0,0]=4 713 B16R1.758 NCC(C(=O)O)Cc1ccc(cc1)N(C)C 1P01A4C3 [0,2,0,0,0,0|2,0,0]=4 714 B16R1.12329 CC(c1ccc(cc1)OC(C(=O)O)(C)C)C 1P005SCV [0,2,0,0,0,0|1,0,0]=3 715 B16R1.12329 NC(=O)c1ccc(cc1)OC(C(=O)O)(C)C 1P0016J6 [0,2,0,0,0,0|2,0,0]=4 716 B16R1.12329 OC(=O)C(Oc1ccc(cc1)[N+](=O)[O-])(C)C 1P002027 [0,2,0,0,0,0|2,0,0]=4 717 B16R1.4113 CC(C(=O)O)Cc1ccc(cc1)C(C)(C)C 1P00FYBW [0,2,0,0,0,0|2,0,0]=4 718 B16R1.4113 CC(C(=O)O)Oc1ccc(cc1)C(C)(C)C 1P00FVH9 [0,2,0,0,0,0|1,0,0]=3 719 B16R1.4113 CC(C(=O)O)Oc1ccc(cc1)C(F)(F)F 1P006CQ1 [0,2,0,0,0,0|2,0,0]=4 720 B16R1.4113 CC(C(=O)[O-])Oc1ccc(cc1)C(C)(C)C 1P005Y39 [0,2,0,0,0,0|1,0,1]=4 721 B16R1.6701 OC(=O)C(Oc1ccc(cc1Cl)[N+](=O)[O-])C 1P00JES0 [0,2,0,0,0,0|2,0,0]=4 722 B16R1.6718 OC(=O)C(Oc1ccc(c(c1)C)C(C)C)C 1P019VOZ [0,2,0,0,0,0|1,0,0]=3 723 B16R1.6718 OC(=O)C(Oc1ccc(c(c1)C)[N+](=O)[O-])C 1P00FCAM [0,2,0,0,0,0|2,0,0]=4 724 B16R1.20118 COc1ccc(c(c1F)F)CC(C(=O)O)N 1P00AGA3 [0,2,0,0,0,0|2,0,0]=4 725 B16R1.20196 COc1cc(C=O)ccc1OC(C(=O)O)C 1P00D93Q [0,2,0,0,0,0|2,0,0]=4 726 B16R1.20196 COc1cc(OC)ccc1CC(C(=O)O)N 1P00IH0P [0,2,0,0,0,0|2,0,0]=4 727 B16R1.4274 COc1cc(ccc1OC)CC(C(=O)O)C 1P00VSXV [0,2,0,0,0,0|1,0,0]=3 728 B16R1.4274 COc1cc(ccc1OC)CC(C(=O)O)N 1P00IAA5 [0,2,0,0,0,0|2,0,0]=4 729 B16R1.4274 COc1cc(ccc1OC)CC(C(=O)O)N 1P028627 [0,2,0,0,0,0|2,0,0]=4 730 B16R1.4274 COc1cc(ccc1OC)C[C@@H](C(=O)O)N 1P003IIH [0,2,0,0,0,0|2,0,0]=4 731 B16R1.4274 COc1cc(ccc1OC)C[C@H](C(=O)O)N 1P00CNCW [0,2,0,0,0,0|2,0,0]=4 732 B16R1.4274 COc1cc(ccc1OC)\C=C(\C(=O)O)/C 1P00VSXR [0,2,0,0,0,0|1,0,1]=4 733 B14R1.153 OC(=O)C(Oc1cccc(c1C)C)C 1P006Y6P [0,0,1,1,0,0|1,0,1]=4 734 B14R2.27 COc1ccc(cc1)C2CC(=O)C2 1P00DL6C [1,0,0,1,0,0|2,0,0]=4 735 B14R2.134 COc1ccc2c(c1)CC(=O)CC2 1P003IY7 [1,0,0,1,0,0|2,0,0]=4 736 B14R2.134 COc1ccc2c(c1)CC(=O)CO2 1P008OHX [1,0,0,1,0,0|1,0,0]=3 737 B14R2.134 COc1ccc2c(c1)NC(=O)CC2 1P00BFPR [1,0,0,1,0,0|2,0,0]=4 738 B14R2.134 COc1ccc2c(c1)NC(=O)CO2 1P00JHNN [1,0,0,1,0,0|1,0,0]=3 739 B14R2.134 COc1ccc2c(c1)oc(=O)cc2 1P003NWX [1,0,0,1,0,0|1,0,1]=4 740 B14R2.328 COc1ccc(cc1)OCC2OC2 1P003G1K [1,0,0,1,0,0|1,0,1]=4 741 B14R2.26 OC[C@@H]1C[C@H]1c2ccc(cc2)OC 1P01B5JS [1,0,0,1,0,0|1,0,1]=4 742 B14R2.331 COc1ccc(cc1)OC2CNC2 1P000LEM [1,0,0,1,0,0|1,0,1]=4 743 B14R2.2332 COc1ccc2c(c1)NCC(O2)C 1P019SLD [1,0,0,1,0,0|1,0,1]=4 744 B14R2.3274 COc1ccc2c(c1)C(=O)C(C2)C 1P01WTQP [1,0,0,1,0,0|1,0,0]=3 745 B14R2.3304 COc1ccc2c(c1)cc(o2)C=O 1P002MTG [1,0,0,1,0,0|0,0,2]=4 746 B14R2.3304 ICC1Oc2c(C1)cc(cc2)OC 1P01BJ53 [1,0,0,1,0,0|1,0,1]=4 747 B14R2.4400 CC1C(=O)NC1c2ccc(cc2)C 1P01DVVK [1,0,0,1,0,0|2,0,0]=4 748 B14R2.4402 OC(=O)C1CC1c2ccc(cc2)Br 1P00G7HH [1,0,0,1,0,0|2,0,0]=4 749 B14R2.4402 OC(=O)C1CC1c2ccc(cc2)C 1P00GSQA [1,0,0,1,0,0|1,0,0]=3 750 B14R2.4402 OC(=O)C1CC1c2ccc(cc2)Cl 1P00GSRE [1,0,0,1,0,0|2,0,0]=4 751 B14R2.4402 OC(=O)C1CC1c2ccc(cc2)F 1P003FCZ [1,0,0,1,0,0|2,0,0]=4 752 B14R2.4402 OC(=O)[C@@H]1C[C@@H]1c2ccc(cc2)F 1P024TSW [1,0,0,1,0,0|2,0,0]=4 753 B14R2.4402 OC(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 1P00EJXD [1,0,0,1,0,0|2,0,0]=4 754 B14R2.4402 OC(=O)[C@@H]1C[C@H]1c2ccc(cc2)Cl 1P01C3UR [1,0,0,1,0,0|2,0,0]=4 755 B14R2.4402 OC(=O)[C@@H]1C[C@H]1c2ccc(cc2)F 1P01B8AT [1,0,0,1,0,0|2,0,0]=4 756 B14R2.4402 OC(=O)[C@@H]1C[C@H]1c2ccc(cc2)N 1P01C0P6 [1,0,0,1,0,0|2,0,0]=4 757 B14R2.4402 OC(=O)[C@H]1C[C@@H]1c2ccc(cc2)Br 1P0093B9 [1,0,0,1,0,0|2,0,0]=4 758 B14R2.4402 OC(=O)[C@H]1C[C@@H]1c2ccc(cc2)Cl 1P01UOKA [1,0,0,1,0,0|2,0,0]=4 759 B14R2.4402 OC(=O)[C@H]1C[C@@H]1c2ccc(cc2)F 1P01KYW6 [1,0,0,1,0,0|2,0,0]=4 760 B14R2.4402 OC(=O)[C@H]1C[C@@H]1c2ccc(cc2)O 1P00IL85 [1,0,0,1,0,0|1,0,0]=3 761 B14R2.4529 Cc1ccc2c(c1)cc(o2)C(=O)O 1P0007W5 [1,0,0,1,0,0|0,0,2]=4 762 B14R2.4529 NC(=O)C1Cc2c(O1)ccc(c2)N 1P028GSP [1,0,0,1,0,0|2,0,0]=4 763 B14R2.4529 OC(=O)C1Cc2c(C1)ccc(c2)Br 1P00IKGF [1,0,0,1,0,0|2,0,0]=4 764 B14R2.4529 OC(=O)C1Cc2c(C1)ccc(c2)F 1P00L9CN [1,0,0,1,0,0|2,0,0]=4 765 B14R2.4529 OC(=O)C1Cc2c(N1)ccc(c2)C 1P00J1LC [1,0,0,1,0,0|1,0,0]=3 766 B14R2.4529 OC(=O)C1Cc2c(N1)ccc(c2)C 1P028H0V [1,0,0,1,0,0|1,0,0]=3 767 B14R2.4529 OC(=O)C1Cc2c(N1)ccc(c2)Cl 1P0007UR [1,0,0,1,0,0|2,0,0]=4 768 B14R2.4529 OC(=O)C1Cc2c(N1)ccc(c2)N 1P028STY [1,0,0,1,0,0|2,0,0]=4 769 B14R2.4529 OC(=O)C1Cc2c(O1)cc(cc2)C 1P002RV4 [1,0,0,1,0,0|2,0,0]=4 770 B14R2.4529 OC(=O)C1Cc2c(O1)ccc(c2)Br 1P00H4LR [1,0,0,1,0,0|1,0,0]=3 771 B14R2.4529 OC(=O)C1Cc2c(O1)ccc(c2)C 1P00BJMA [1,0,0,1,0,0|0,0,0]=2 772 B14R2.4529 OC(=O)C1Cc2c(O1)ccc(c2)Cl 1P00CM9X [1,0,0,1,0,0|1,0,0]=3 773 B14R2.4529 OC(=O)C1Cc2c(O1)ccc(c2)F 1P00IG28 [1,0,0,1,0,0|1,0,0]=3 774 B14R2.4529 OC(=O)C1Cc2c(S1)cc(cc2)C 1P002RUW [1,0,0,1,0,0|2,0,0]=4 775 B14R2.4529 OC(=O)C1Cc2c(S1)ccc(c2)C 1P01DWJN [1,0,0,1,0,0|0,1,0]=3 776 B14R2.4529 OC(=O)[C@@H]1Cc2c(N1)ccc(c2)Br 1P024RQL [1,0,0,1,0,0|2,0,0]=4 777 B14R2.4529 OC(=O)[C@@H]1Cc2c(N1)ccc(c2)Cl 1P01DWCN [1,0,0,1,0,0|2,0,0]=4 778 B14R2.4529 OC(=O)[C@@H]1Cc2c(N1)ccc(c2)Cl 1P02901L [1,0,0,1,0,0|2,0,0]=4 779 B14R2.4529 Oc1ccc2c(c1)cc(o2)C(=O)O 1P00DJI1 [1,0,0,1,0,0|0,0,2]=4 780 B14R2.8239 O=C1Nc2cc(Br)ccc2OC1C 1P00BECJ [1,0,0,1,0,0|2,0,0]=4 781 B14R2.8239 O=C1Nc2cc(C)ccc2OC1C 1P0027KY [1,0,0,1,0,0|1,0,0]=3 782 B14R2.8239 O=C1Nc2cc(Cl)ccc2OC1C 1P00EGQC [1,0,0,1,0,0|2,0,0]=4 783 B14R2.8239 O=C1Nc2cc(N)ccc2OC1C 1P007FAE [1,0,0,1,0,0|2,0,0]=4 784 B14R2.1815 COc1ccc2c(c1)NC(=O)C2N 1P00J1R9 [0,0,0,1,1,0|2,0,0]=4 785 B14R2.1815 COc1ccc2c(c1)NC(=O)C2O 1P01AL9P [0,0,0,1,1,0|2,0,0]=4 786 B14R2.1815 COc1ccc2c(c1)[nH]c(=O)n2C 1P00DLC5 [0,0,0,1,1,0|2,0,0]=4 787 B16R2.7527 COc1ccc2c(c1)C(C(=O)O)C(N2)C 1P028FMX [0,0,0,1,0,1|1,0,0]=3 788 B16R2.7527 COc1ccc2c(c1)c(C(=O)O)c([nH]2)C 1P00D1AU [0,0,0,1,0,1|1,0,1]=4 789 B16R2.7527 COc1ccc2c(c1)c(C(=O)O)c(o2)C 1P002ZQ6 [0,0,0,1,0,1|0,0,1]=3 790 B16R2.7527 COc1ccc2c(c1)c(C(=O)O)c(s2)C 1P028A0O [0,0,0,1,0,1|0,1,1]=4 791 B16R2.191802 COc1ccc2c(c1)NC(=O)CC(N2)C 1P028DSN [0,0,0,1,0,1|2,0,0]=4 792 B16R2.7476 COc1cc2C=C(COc2cc1)C(=O)O 1P00EBAS [0,0,0,1,0,1|0,0,2]=4 793 B16R2.7476 COc1cc2CC(CCc2cc1)C(=O)O 1P002Q2U [0,0,0,1,0,1|1,0,0]=3 794 B16R2.7476 COc1cc2CC(COc2cc1)C(=O)O 1P0024G8 [0,0,0,1,0,1|0,0,0]=2 795 B16R2.7476 COc1cc2CC(NCc2cc1)C(=O)O 1P00G82X [0,0,0,1,0,1|1,0,0]=3 796 B16R2.7476 COc1cc2C[C@@H](COc2cc1)C(=O)O 1P0024G7 [0,0,0,1,0,1|0,0,0]=2 797 B16R2.7476 COc1cc2NC(CCc2cc1)C(=O)O 1P028XLX [0,0,0,1,0,1|2,0,0]=4 798 B16R2.7604 COC(=O)C1Cc2c(C1)cc(cc2)OC 1P00FHW3 [0,1,0,1,0,0|1,0,0]=3 799 B16R2.7604 COc1ccc2c(c1)cc(o2)C(=O)OC 1P0020LQ [0,1,0,1,0,0|0,0,2]=4 800 B16R2.7604 COc1ccc2c(c1)nc(o2)C(=O)OC 1P00DK9O [0,1,0,1,0,0|1,0,1]=4 801 B16R2.6257 NC(=O)C(Cc1ccc2c(c1)OCO2)C 1P01E5YU [0,1,0,1,0,0|2,0,0]=4 802 B16R2.6257 OC(=O)C(Cc1ccc2c(c1)OCO2)C 1P003I32 [0,1,0,1,0,0|1,0,0]=3 803 B16R2.6257 OC(=O)C(Cc1ccc2c(c1)OCO2)N 1P01A9IL [0,1,0,1,0,0|2,0,0]=4 804 B16R2.6257 OC(=O)C(Oc1ccc2c(c1)CCC2)C 1P00GTZE [0,1,0,1,0,0|1,0,0]=3 805 B16R2.6257 OC(=O)C(Oc1ccc2c(c1)OCO2)C 1P007CCI [0,1,0,1,0,0|0,0,0]=2 806 B16R2.6257 OC(=O)[C@H](Cc1ccc2c(c1)OCO2)N 1P01XCSO [0,1,0,1,0,0|2,0,0]=4 807 B16R2.6257 OC(=O)[C@H](Cc1ccc2c(c1)OCO2)N 1P027Z73 [0,1,0,1,0,0|2,0,0]=4 808 B16R2.28287 CCOc1ccc2c(c1)cc(o2)C(=O)O 1P0177D7 [0,1,0,1,0,0|0,0,2]=4 809 B16R2.3115 COc1ccc(cc1)CC2(CC2)C(=O)O 1P01EV69 [0,1,0,1,0,0|1,0,0]=3 810 B16R2.3115 N#Cc1ccc(cc1)OC2(CC2)C(=O)O 1P028667 [0,1,0,1,0,0|2,0,0]=4 811 B16R2.7486 COc1ccc2c(c1)CCC(C2)C(=O)O 1P002PMA [0,1,0,1,0,0|1,0,0]=3 812 B16R2.7486 COc1ccc2c(c1)CCC(O2)C(=O)O 1P019GCY [0,1,0,1,0,0|0,0,0]=2 813 B16R2.7486 COc1ccc2c(c1)OCC(=C2)C(=O)O 1P00ECMU [0,1,0,1,0,0|1,0,1]=4 814 B16R2.7486 COc1ccc2c(c1)OCC(C2)C(=O)O 1P00CAJV [0,1,0,1,0,0|1,0,0]=3 815 B16R2.7526 COc1ccc2c(c1)c(C)c([nH]2)C(=O)O 1P001UVG [0,1,0,1,0,0|1,0,1]=4 816 B16R2.7526 COc1ccc2c(c1)c(C)c(o2)C(=O)C 1P01ABAZ [0,1,0,1,0,0|1,0,1]=4 817 B16R2.7526 COc1ccc2c(c1)c(C)c(o2)C(=O)O 1P005JGS [0,1,0,1,0,0|0,0,1]=3 818 B16R2.7526 COc1ccc2c(c1)c(C)c(s2)C(=O)O 1P01AJV0 [0,1,0,1,0,0|0,1,1]=4 819 B16R2.7526 COc1ccc2c(c1)n(C)c(c2)C(=O)O 1P005JC4 [0,1,0,1,0,0|1,0,1]=4 820 B16R2.37660 COc1ccc2c(c1)oc(=O)c(n2)CBr 1P000MME [0,1,0,1,0,0|1,0,1]=4 821 B16R2.27312 CC(c1ccc(cc1)C2CC2C(=O)O)C 1P01AKR7 [0,1,0,1,0,0|2,0,0]=4 822 B16R2.27312 CC(c1ccc(cc1)[C@@H]2C[C@H]2C(=O)O)C 1P0292AR [0,1,0,1,0,0|2,0,0]=4 823 B16R2.27312 CN(c1ccc(cc1)C2CC2C(=O)O)C 1P01AGZ9 [0,1,0,1,0,0|2,0,0]=4 824 B16R2.27312 CN(c1ccc(cc1)[C@@H]2C[C@H]2C(=O)O)C 1P01KLNZ [0,1,0,1,0,0|2,0,0]=4 825 B16R2.41881 COc1cc2NC(Cc2c(c1)C)C(=O)O 1P028LC2 [0,1,0,1,0,0|2,0,0]=4 826 B16R2.50544 COc1ccc(cc1F)[C@@H]2C[C@H]2C(=O)O 1P01LRNE [0,1,0,1,0,0|1,0,0]=3 827 B16R2.50544 COc1ccc(cc1F)[C@H]2C[C@@H]2C(=O)O 1P024TWK [0,1,0,1,0,0|1,0,0]=3 828 B12R1.5 BrCC(c1ccc(cc1)OC)C 1P01C5Y6 [1,0,0,0,1,0|1,0,1]=4 829 B12R1.5 CCc1ccc(cc1)C(C=O)C 1P02882O [1,0,0,0,1,0|1,0,0]=3 830 B12R1.5 CNC(c1ccc(cc1)OC)C 1P0071VR [1,0,0,0,1,0|2,0,0]=4 831 B12R1.5 CNC(c1ccc(cc1)OC)C 1P0096TC [1,0,0,0,1,0|2,0,0]=4 832 B12R1.5 COc1ccc(cc1)C(=NO)C 1P019NXU [1,0,0,0,1,0|1,0,1]=4 833 B12R1.5 COc1ccc(cc1)C(=O)C=O 1P009687 [1,0,0,0,1,0|1,0,1]=4 834 B12R1.5 COc1ccc(cc1)C(C#N)C 1P0288FD [1,0,0,0,1,0|1,0,1]=4 835 B12R1.5 COc1ccc(cc1)C(C=C)O 1P00DZ5C [1,0,0,0,1,0|2,0,0]=4 836 B12R1.5 COc1ccc(cc1)N(N=O)C 1P01OUA7 [1,0,0,0,1,0|2,0,0]=4 837 B12R1.5 CSc1ccc(cc1)C(C=O)C 1P0292JL [1,0,0,0,1,0|0,1,0]=3 838 B12R1.5 NC[C@@H](c1ccc(cc1)OC)C 1P027W4K [1,0,0,0,1,0|1,0,1]=4 839 B12R1.5 NNC(c1ccc(cc1)OC)C 1P01C1KJ [1,0,0,0,1,0|2,0,0]=4 840 B12R1.5 OCC(c1ccc(cc1)OC)C 1P01A4H4 [1,0,0,0,1,0|0,0,1]=3 841 B12R1.5 OCC(c1ccc(cc1)OC)N 1P0019JC [1,0,0,0,1,0|1,0,1]=4 842 B12R1.5 OCC(c1ccc(cc1)OC)N 1P009I3X [1,0,0,0,1,0|1,0,1]=4 843 B12R1.5 OC[C@@H](c1ccc(cc1)OC)N 1P00BGMC [1,0,0,0,1,0|1,0,1]=4 844 B12R1.5 OC[C@H](c1ccc(cc1)OC)N 1P002FIO [1,0,0,0,1,0|1,0,1]=4 845 B12R1.5 OC[C@H](c1ccc(cc1)OC)N 1P00I4TP [1,0,0,0,1,0|1,0,1]=4 846 B12R1.5 ONC(c1ccc(cc1)OC)C 1P01C0NU [1,0,0,0,1,0|1,0,0]=3 847 B12R1.20 BrC(c1ccc(cc1)Cl)C(=O)O 1P003O8K [1,0,0,0,1,0|2,0,0]=4 848 B12R1.20 BrC(c1ccc(cc1)F)C(=O)O 1P002YDD [1,0,0,0,1,0|2,0,0]=4 849 B12R1.20 CC(=O)C(c1ccc(cc1)C)Br 1P028OSI [1,0,0,0,1,0|2,0,0]=4 850 B12R1.20 CC(c1ccc(cc1)Br)C(=O)N 1P01ENFZ [1,0,0,0,1,0|2,0,0]=4 851 B12R1.20 CC(c1ccc(cc1)Br)C(=O)O 1P00DC2L [1,0,0,0,1,0|1,0,0]=3 852 B12R1.20 CC(c1ccc(cc1)Cl)C(=O)O 1P003FCJ [1,0,0,0,1,0|1,0,0]=3 853 B12R1.20 CC(c1ccc(cc1)F)C(=O)O 1P003FD3 [1,0,0,0,1,0|1,0,0]=3 854 B12R1.20 CC(c1ccc(cc1)I)C(=O)O 1P00CKVO [1,0,0,0,1,0|1,0,0]=3 855 B12R1.20 CC(c1ccc(cc1)N)C(=O)O 1P00EEDL [1,0,0,0,1,0|1,0,0]=3 856 B12R1.20 CC(c1ccc(cc1)N)C(=O)O 1P01EM3O [1,0,0,0,1,0|1,0,0]=3 857 B12R1.20 CN(c1ccc(cc1)O)C(=O)C 1P00F000 [1,0,0,0,1,0|2,0,0]=4 858 B12R1.20 CN(c1ccc(cc1)O)C(=O)N 1P01AAUZ [1,0,0,0,1,0|2,0,0]=4 859 B12R1.20 C[C@@H](C1=CC=C(Br)C=C1)C(O)=O 1P01KXOO [1,0,0,0,1,0|1,0,0]=3 860 B12R1.20 C[C@@H](c1ccc(cc1)F)C(=O)O 1P01EKOW [1,0,0,0,1,0|1,0,0]=3 861 B12R1.20 C[C@@H](c1ccc(cc1)N)C(=O)O 1P023Q4E [1,0,0,0,1,0|1,0,0]=3 862 B12R1.20 C[C@H](c1ccc(cc1)Br)C(=O)O 1P01KAL6 [1,0,0,0,1,0|1,0,0]=3 863 B12R1.20 C[C@H](c1ccc(cc1)C)C(=O)O 1P003FDU [1,0,0,0,1,0|0,0,0]=2 864 B12R1.20 C[C@H](c1ccc(cc1)F)C(=O)O 1P01EKMV [1,0,0,0,1,0|1,0,0]=3 865 B12R1.20 C[C@H](c1ccc(cc1)N)C(=O)O 1P00KNLZ [1,0,0,0,1,0|1,0,0]=3 866 B12R1.20 Cc1ccc(cc1)N(C(=O)C)C 1P00F3FS [1,0,0,0,1,0|2,0,0]=4 867 B12R1.20 FC(c1ccc(cc1)C)C(=O)O 1P01UOKD [1,0,0,0,1,0|1,0,0]=3 868 B12R1.20 FC(c1ccc(cc1)Cl)C(=O)O 1P01FPC6 [1,0,0,0,1,0|2,0,0]=4 869 B12R1.20 FC(c1ccc(cc1)F)C(=O)O 1P01DVWA [1,0,0,0,1,0|2,0,0]=4 870 B12R1.20 FC(c1ccc(cc1)I)C(=O)O 1P0293FT [1,0,0,0,1,0|2,0,0]=4 871 B12R1.20 NC(c1ccc(cc1)Br)C(=O)O 1P000ZPI [1,0,0,0,1,0|2,0,0]=4 872 B12R1.20 NC(c1ccc(cc1)Br)C(=O)O 1P00FHES [1,0,0,0,1,0|2,0,0]=4 873 B12R1.20 NC(c1ccc(cc1)C)C(=O)O 1P0010XE [1,0,0,0,1,0|1,0,0]=3 874 B12R1.20 NC(c1ccc(cc1)C)C(=O)O 1P027Z1V [1,0,0,0,1,0|1,0,0]=3 875 B12R1.20 NC(c1ccc(cc1)Cl)C(=O)O 1P00IBFY [1,0,0,0,1,0|2,0,0]=4 876 B12R1.20 NC(c1ccc(cc1)F)C(=O)O 1P003LWU [1,0,0,0,1,0|2,0,0]=4 877 B12R1.20 N[C@@H](c1ccc(cc1)Br)C(=O)O 1P004RAU [1,0,0,0,1,0|2,0,0]=4 878 B12R1.20 N[C@@H](c1ccc(cc1)Br)C(=O)O 1P01DE3O [1,0,0,0,1,0|2,0,0]=4 879 B12R1.20 N[C@@H](c1ccc(cc1)C)C(=O)O 1P008UK2 [1,0,0,0,1,0|1,0,0]=3 880 B12R1.20 N[C@@H](c1ccc(cc1)C)C(=O)O 1P01KKTJ [1,0,0,0,1,0|1,0,0]=3 881 B12R1.20 N[C@@H](c1ccc(cc1)Cl)C(=O)O 1P0036F2 [1,0,0,0,1,0|2,0,0]=4 882 B12R1.20 N[C@@H](c1ccc(cc1)F)C(=O)O 1P002C8A [1,0,0,0,1,0|2,0,0]=4 883 B12R1.20 N[C@H](c1ccc(cc1)Br)C(=O)O 1P009ZVZ [1,0,0,0,1,0|2,0,0]=4 884 B12R1.20 N[C@H](c1ccc(cc1)Br)C(=O)O 1P01DUMM [1,0,0,0,1,0|2,0,0]=4 885 B12R1.20 N[C@H](c1ccc(cc1)C)C(=O)O 1P00FHGP [1,0,0,0,1,0|1,0,0]=3 886 B12R1.20 N[C@H](c1ccc(cc1)Cl)C(=O)O 1P008451 [1,0,0,0,1,0|2,0,0]=4 887 B12R1.20 N[C@H](c1ccc(cc1)Cl)C(=O)O 1P00D9LT [1,0,0,0,1,0|2,0,0]=4 888 B12R1.20 N[C@H](c1ccc(cc1)F)C(=O)O 1P001KKC [1,0,0,0,1,0|2,0,0]=4 889 B12R1.20 N[C@H](c1ccc(cc1)F)C(=O)O 1P003LW2 [1,0,0,0,1,0|2,0,0]=4 890 B12R1.20 O=C(c1ccc(cc1)C)C(=O)O 1P005RW4 [1,0,0,0,1,0|1,0,1]=4 891 B12R1.20 OC(=O)C(c1ccc(cc1)O)C 1P003FD8 [1,0,0,0,1,0|0,0,0]=2 892 B12R1.20 OC(=O)C(c1ccc(cc1)O)N 1P00IIBK [1,0,0,0,1,0|1,0,0]=3 893 B12R1.20 OC(=O)C(c1ccc(cc1)O)O 1P000Q5A [1,0,0,0,1,0|1,0,0]=3 894 B12R1.20 OC(=O)C(c1ccc(cc1)O)O 1P003Q9T [1,0,0,0,1,0|1,0,0]=3 895 B12R1.20 OC(=O)C(c1ccc(nc1)Cl)C 1P00H42T [1,0,0,0,1,0|2,0,0]=4 896 B12R1.20 OC(=O)[C@@H](c1ccc(cc1)O)C 1P01ENKQ [1,0,0,0,1,0|0,0,0]=2 897 B12R1.20 OC(=O)[C@@H](c1ccc(cc1)O)N 1P007O5Y [1,0,0,0,1,0|1,0,0]=3 898 B12R1.20 OC(=O)[C@H](c1ccc(cc1)O)C 1P01EQYU [1,0,0,0,1,0|0,0,0]=2 899 B12R1.20 OC(=O)[C@H](c1ccc(cc1)O)N 1P0034J0 [1,0,0,0,1,0|1,0,0]=3 900 B12R1.20 OC(=O)[C@H](c1ccc(cc1)O)O 1P009JAJ [1,0,0,0,1,0|1,0,0]=3 901 B12R1.20 OC(c1ccc(cc1)Br)C(=O)O 1P003LGT [1,0,0,0,1,0|2,0,0]=4 902 B12R1.20 OC(c1ccc(cc1)C)C(=O)O 1P00AQ8R [1,0,0,0,1,0|1,0,0]=3 903 B12R1.20 OC(c1ccc(cc1)Cl)C(=O)O 1P003LO4 [1,0,0,0,1,0|2,0,0]=4 904 B12R1.20 OC(c1ccc(cc1)F)C(=O)O 1P003LW7 [1,0,0,0,1,0|2,0,0]=4 905 B12R1.20 OC(c1ccc(cc1)N)C(=O)O 1P01A1GU [1,0,0,0,1,0|2,0,0]=4 906 B12R1.20 OC(c1ccc(cc1)N)C(=O)O 1P02013Q [1,0,0,0,1,0|2,0,0]=4 907 B12R1.20 OC(c1ccc(cc1)O)C(=O)[O-] 1P00FACZ [1,0,0,0,1,0|1,0,1]=4 908 B12R1.20 O[C@@H](c1ccc(cc1)Br)C(=O)O 1P00HHRY [1,0,0,0,1,0|2,0,0]=4 909 B12R1.20 O[C@@H](c1ccc(cc1)C)C(=O)O 1P0282AZ [1,0,0,0,1,0|1,0,0]=3 910 B12R1.20 O[C@@H](c1ccc(cc1)Cl)C(=O)O 1P005Y97 [1,0,0,0,1,0|2,0,0]=4 911 B12R1.20 O[C@@H](c1ccc(cc1)F)C(=O)O 1P01XDB0 [1,0,0,0,1,0|2,0,0]=4 912 B12R1.20 O[C@H](c1ccc(cc1)Br)C(=O)O 1P00BYDC [1,0,0,0,1,0|2,0,0]=4 913 B12R1.20 O[C@H](c1ccc(cc1)C)C(=O)O 1P003HU9 [1,0,0,0,1,0|1,0,0]=3 914 B12R1.20 O[C@H](c1ccc(cc1)Cl)C(=O)O 1P0037U2 [1,0,0,0,1,0|2,0,0]=4 915 B12R1.20 Oc1ccc(cc1)C(=O)C(=O)O 1P001OMC [1,0,0,0,1,0|1,0,1]=4 916 B14R1.4 CCc1ccc(cc1)CCCC(=O)O 1P00D9F0 [1,0,0,0,0,1|2,0,0]=4 917 B14R1.4 CCc1ccc(cc1)OCCC(=O)O 1P01AC4M [1,0,0,0,0,1|1,0,0]=3 918 B14R1.4 COc1ccc(cc1)CCCC(=O)O 1P003KKY [1,0,0,0,0,1|1,0,0]=3 919 B14R1.4 COc1ccc(cc1)CCNC(=O)N 1P00AJSV [1,0,0,0,0,1|2,0,0]=4 920 B14R1.4 COc1ccc(cc1)CNCC(=O)O 1P002K4F [1,0,0,0,0,1|1,0,0]=3 921 B14R1.4 COc1ccc(cc1)COCC(=O)O 1P0048P6 [1,0,0,0,0,1|0,0,0]=2 922 B14R1.4 COc1ccc(cc1)NCCC(=O)N 1P002L3G [1,0,0,0,0,1|2,0,0]=4 923 B14R1.4 COc1ccc(cc1)NCCC(=O)O 1P0026IB [1,0,0,0,0,1|1,0,0]=3 924 B14R1.4 COc1ccc(cc1)OC=CC(=O)O 1P028HLF [1,0,0,0,0,1|0,0,1]=3 925 B14R1.4 COc1ccc(cc1)OCCC(=O)C 1P01C0YU [1,0,0,0,0,1|1,0,0]=3 926 B14R1.4 COc1ccc(cc1)OCCC(=O)O 1P002JYD [1,0,0,0,0,1|0,0,0]=2 927 B14R1.4 COc1ccc(cc1)SCCC(=O)O 1P0013OZ [1,0,0,0,0,1|0,1,0]=3 928 B14R1.4 COc1ccc(cn1)COCC(=O)O 1P01BW2Q [1,0,0,0,0,1|1,0,0]=3 929 B14R1.4 CSc1ccc(cc1)CCCC(=O)O 1P01C4K1 [1,0,0,0,0,1|1,1,0]=4 930 B14R1.4 N#Cc1ccc(cc1)OCCC(=O)O 1P003IKT [1,0,0,0,0,1|2,0,0]=4 931 B14R1.4 O=Cc1ccc(cc1)OCCC(=O)O 1P00FEKJ [1,0,0,0,0,1|2,0,0]=4 932 B14R1.679 CC(C(=O)O)CCc1ccc(cc1)F 1P01C0I1 [1,0,0,0,0,1|2,0,0]=4 933 B14R1.679 CC(C(=O)O)CSc1ccc(cc1)F 1P019ZTW [1,0,0,0,0,1|1,1,0]=4 934 B14R1.679 CC(C(=O)O)NCc1ccc(cc1)F 1P019VFV [1,0,0,0,0,1|2,0,0]=4 935 B14R1.679 CC(C(=O)O)OCc1ccc(cc1)C 1P01BV9S [1,0,0,0,0,1|0,0,0]=2 936 B14R1.679 CC(C(=O)O)OCc1ccc(cc1)F 1P01AUT2 [1,0,0,0,0,1|1,0,0]=3 937 B14R1.679 CC(C(=O)O)SCc1ccc(cc1)Br 1P019OA1 [1,0,0,0,0,1|1,1,0]=4 938 B14R1.679 CC(C(=O)O)SCc1ccc(cc1)Cl 1P0017K0 [1,0,0,0,0,1|1,1,0]=4 939 B14R1.679 C[C@@H](C(=O)O)NCc1ccc(cc1)Cl 1P01B9Q3 [1,0,0,0,0,1|2,0,0]=4 940 B14R1.679 C[C@@H](C(=O)O)OCc1ccc(cc1)Cl 1P0288DT [1,0,0,0,0,1|1,0,0]=3 941 B14R1.679 N[C@@H](C(=O)O)CCc1ccc(cc1)C 1P01JNAX [1,0,0,0,0,1|2,0,0]=4 942 B14R1.679 N[C@H](C(=O)O)CCc1ccc(cc1)C 1P01JNCB [1,0,0,0,0,1|2,0,0]=4 943 B14R1.679 OC(=O)[C@@H](CCc1ccc(cc1)O)N 1P00AQ5W [1,0,0,0,0,1|2,0,0]=4 944 B14R1.679 OC(=O)[C@@H](CCc1ccc(cc1)O)N 1P01EC6W [1,0,0,0,0,1|2,0,0]=4 945 B14R1.679 OC(=O)[C@H](CCc1ccc(cc1)O)N 1P001HST [1,0,0,0,0,1|2,0,0]=4 946 B14R1.679 OC(=O)[C@H](CCc1ccc(cc1)O)N 1P00I4TC [1,0,0,0,0,1|2,0,0]=4 947 B14R1.698 CC(Cc1ccc(cc1)Cl)CC(=O)O 1P01A4UQ [1,0,0,0,0,1|2,0,0]=4 948 B14R1.698 CC(Sc1ccc(cc1)Cl)CC(=O)O 1P003IKS [1,0,0,0,0,1|1,1,0]=4 949 B14R1.698 CN(Cc1ccc(cc1)C)CC(=O)O 1P00J2KD [1,0,0,0,0,1|2,0,0]=4 950 B14R1.698 NC(Cc1ccc(cc1)O)CC(=O)O 1P00IMR1 [1,0,0,0,0,1|2,0,0]=4 951 B14R1.698 N[C@@H](Cc1ccc(cc1)C)CC(=O)O 1P00BEBQ [1,0,0,0,0,1|2,0,0]=4 952 B14R1.698 N[C@@H](Cc1ccc(cc1)O)CC(=O)O 1P00C8A4 [1,0,0,0,0,1|2,0,0]=4 953 B14R1.698 N[C@H](Cc1ccc(cc1)C)CC(=O)O 1P00261M [1,0,0,0,0,1|2,0,0]=4 954 B14R1.698 N[C@H](Cc1ccc(cc1)C)CC(=O)O 1P00CMPE [1,0,0,0,0,1|2,0,0]=4 955 B14R1.75 COc1cccc(c1)CC(C(=O)O)N 1P008OBN [0,0,0,0,1,1|2,0,0]=4 956 B14R1.75 COc1cccc(c1)CC(C(=O)O)N 1P01BVI2 [0,0,0,0,1,1|2,0,0]=4 957 B14R1.75 COc1cccc(c1)CC(C(=O)O)O 1P01A30A [0,0,0,0,1,1|2,0,0]=4 958 B14R1.75 COc1cccc(c1)C[C@@H](C(=O)O)N 1P007J1F [0,0,0,0,1,1|2,0,0]=4 959 B14R1.75 COc1cccc(c1)C[C@H](C(=O)O)N 1P001L8U [0,0,0,0,1,1|2,0,0]=4 960 B14R1.75 COc1cccc(c1)OC(C(=O)O)C 1P003FAP [0,0,0,0,1,1|0,0,0]=2 961 B14R1.75 N#Cc1cccc(c1)OC(C(=O)O)C 1P019XS3 [0,0,0,0,1,1|2,0,0]=4 962 B14R1.75 O=Cc1cccc(c1)OC(C(=O)O)C 1P01A8CK [0,0,0,0,1,1|2,0,0]=4 963 B14R1.75 OCc1cccc(c1)OC(C(=O)O)C 1P01A1ZD [0,0,0,0,1,1|2,0,0]=4 964 B16R1.5 COc1ccc(cc1)CCC[C@@H](C(=O)O)N 1P01JN59 [0,0,0,0,0,2|2,0,0]=4 965 B16R1.5 COc1ccc(cc1)CSC[C@@H](C(=O)O)N 1P003UMT [0,0,0,0,0,2|1,1,0]=4 966 B16R1.5 COc1ccc(cc1)CSC[C@H](C(=O)O)N 1P00EH7O [0,0,0,0,0,2|1,1,0]=4