0 B13R1.21 CCC(C(c1ccc(cc1)Cl)N)C 1P019Q9U [0,0,0,0,0,0|4,0,0]=4 1 B13R1.21 CCC(C(c1ccc(cc1)Cl)O)N 1P01B774 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.21 CN[C@H]([C@@H](c1ccc(cc1)F)O)C 1P00GB4X [0,0,0,0,0,0|4,0,0]=4 3 B13R1.21 COC(=O)C(c1ccc(cc1)N)O 1P024H63 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.21 OC(C(C#N)C)c1ccc(cc1)Cl 1P01C2YV [0,0,0,0,0,0|3,0,1]=4 5 B13R1.21 OCC(C(c1ccc(cc1)Br)N)C 1P01BG2G [0,0,0,0,0,0|3,0,0]=3 6 B13R1.21 OCC(C(c1ccc(cc1)Cl)O)N 1P01BVPL [0,0,0,0,0,0|1,0,0]=1 7 B13R1.21 OC[C@@H]([C@H](c1ccc(cc1)N)O)N 1P00D8EG [0,0,0,0,0,0|0,0,0]=0 8 B12R1.16 C=CCC(c1ccc(cc1)Br)O 1P01BUXR [1,0,0,0,0,0|2,0,1]=4 9 B12R1.16 C=CCC(c1ccc(cc1)Cl)O 1P001KZS [1,0,0,0,0,0|2,0,1]=4 10 B12R1.16 CCCC(c1ccc(cc1)Br)O 1P00C2KD [1,0,0,0,0,0|2,0,0]=3 11 B12R1.16 CCCC(c1ccc(cc1)Cl)N 1P01A0F3 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.16 CCCC(c1ccc(cc1)F)N 1P00AST0 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.16 CCCC(c1ccc(cc1)O)N 1P023J1G [1,0,0,0,0,0|3,0,0]=4 14 B12R1.16 CCCC(c1ccc(cc1)O)N 1P028OOT [1,0,0,0,0,0|3,0,0]=4 15 B12R1.16 CCC[C@@H](c1ccc(cc1)C)N 1P00A08O [1,0,0,0,0,0|3,0,0]=4 16 B12R1.16 CCC[C@@H](c1ccc(cc1)C)N 1P00I79Y [1,0,0,0,0,0|3,0,0]=4 17 B12R1.16 CCC[C@@H](c1ccc(cc1)F)N 1P000WWN [1,0,0,0,0,0|3,0,0]=4 18 B12R1.16 CCC[C@H](c1ccc(cc1)C)N 1P00GAQD [1,0,0,0,0,0|3,0,0]=4 19 B12R1.16 CCC[C@H](c1ccc(cc1)F)N 1P00A064 [1,0,0,0,0,0|3,0,0]=4 20 B12R1.16 CNCC(c1ccc(cc1)Br)O 1P01C2YN [1,0,0,0,0,0|3,0,0]=4 21 B12R1.16 CNCC(c1ccc(cc1)Cl)O 1P00VT0L [1,0,0,0,0,0|3,0,0]=4 22 B12R1.16 CNCC(c1ccc(cc1)F)O 1P00DJHD [1,0,0,0,0,0|3,0,0]=4 23 B12R1.16 CNCC(c1ccc(cc1)F)O 1P01ABEV [1,0,0,0,0,0|3,0,0]=4 24 B12R1.16 CNCC(c1ccc(cc1)O)O 1P001WVF [1,0,0,0,0,0|3,0,0]=4 25 B12R1.16 CNCC(c1ccc(cc1)O)O 1P00IB2Z [1,0,0,0,0,0|3,0,0]=4 26 B12R1.16 CNCC(c1ccc(cc1)O)O 1P00IN24 [1,0,0,0,0,0|3,0,0]=4 27 B12R1.16 NCCC(c1ccc(cn1)Cl)O 1P028DL7 [1,0,0,0,0,0|3,0,0]=4 28 B12R1.16 OC(c1ccc(cc1)Br)CC#N 1P0288YK [1,0,0,0,0,0|2,0,1]=4 29 B12R1.16 OC(c1ccc(cc1)F)CC#N 1P024VNV [1,0,0,0,0,0|2,0,1]=4 30 B12R1.16 OCCC(=O)c1ccc(cc1)O 1P003IW0 [1,0,0,0,0,0|1,0,2]=4 31 B12R1.16 OCCC(c1ccc(cc1)Br)N 1P00G3DW [1,0,0,0,0,0|2,0,0]=3 32 B12R1.16 OCCC(c1ccc(cc1)Br)O 1P01JMSI [1,0,0,0,0,0|1,0,0]=2 33 B12R1.16 OCCC(c1ccc(cc1)C)N 1P005MC3 [1,0,0,0,0,0|2,0,0]=3 34 B12R1.16 OCCC(c1ccc(cc1)Cl)N 1P006DN0 [1,0,0,0,0,0|2,0,0]=3 35 B12R1.16 OCCC(c1ccc(cc1)F)N 1P00EB6W [1,0,0,0,0,0|2,0,0]=3 36 B12R1.16 OCCC(c1ccc(cc1)N)N 1P00HDMM [1,0,0,0,0,0|1,0,0]=2 37 B12R1.16 OCCN(c1ccc(cc1)C)C 1P00I5SP [1,0,0,0,0,0|3,0,0]=4 38 B12R1.16 OCCN(c1ccc(nc1)N)C 1P00IFK3 [1,0,0,0,0,0|3,0,0]=4 39 B12R1.16 OCC[C@@H](c1ccc(cc1)Br)N 1P000BLA [1,0,0,0,0,0|2,0,0]=3 40 B12R1.16 OCC[C@@H](c1ccc(cc1)Br)N 1P01DMCI [1,0,0,0,0,0|2,0,0]=3 41 B12R1.16 OCC[C@@H](c1ccc(cc1)Cl)N 1P003D2G [1,0,0,0,0,0|2,0,0]=3 42 B12R1.16 OCC[C@@H](c1ccc(cc1)F)N 1P007PVP [1,0,0,0,0,0|2,0,0]=3 43 B12R1.16 OCC[C@@H](c1ccc(cc1)F)N 1P01ERGW [1,0,0,0,0,0|2,0,0]=3 44 B12R1.16 OCC[C@@H](c1ccc(cc1)N)N 1P0013RY [1,0,0,0,0,0|1,0,0]=2 45 B12R1.16 OCC[C@H](c1ccc(cc1)Br)N 1P009BQE [1,0,0,0,0,0|2,0,0]=3 46 B12R1.16 OCC[C@H](c1ccc(cc1)C)N 1P008SOF [1,0,0,0,0,0|2,0,0]=3 47 B12R1.16 OCC[C@H](c1ccc(cc1)Cl)N 1P009BPE [1,0,0,0,0,0|2,0,0]=3 48 B12R1.20 CC(=C)C(c1ccc(cc1)C)O 1P0285PR [1,0,0,0,0,0|2,0,1]=4 49 B12R1.20 CC(C(=O)c1ccc(cc1)Br)N 1P01DX7V [1,0,0,0,0,0|1,0,2]=4 50 B12R1.20 CC(C(=O)c1ccc(cc1)N)C 1P01ALAR [1,0,0,0,0,0|1,0,2]=4 51 B12R1.20 CC(C(c1ccc(cc1)C)N)C 1P00ASTB [1,0,0,0,0,0|3,0,0]=4 52 B12R1.20 CC(C(c1ccc(cc1)C)N)C 1P01AU0J [1,0,0,0,0,0|3,0,0]=4 53 B12R1.20 CC(C(c1ccc(cc1)C)O)N 1P01BAJJ [1,0,0,0,0,0|1,0,0]=2 54 B12R1.20 CC(C(c1ccc(cc1)C)O)N 1P01BAJK [1,0,0,0,0,0|1,0,0]=2 55 B12R1.20 CC([C@@H](c1ccc(cc1)C)N)C 1P00A099 [1,0,0,0,0,0|3,0,0]=4 56 B12R1.20 CC(c1ccc(cc1)N)C(=O)O 1P00EEDL [1,0,0,0,0,0|2,0,1]=4 57 B12R1.20 CC(c1ccc(cc1)N)C(=O)O 1P01EM3O [1,0,0,0,0,0|2,0,1]=4 58 B12R1.20 C[C@@H](c1ccc(cc1)N)C(=O)O 1P023Q4E [1,0,0,0,0,0|2,0,1]=4 59 B12R1.20 C[C@H](c1ccc(cc1)N)C(=O)O 1P00KNLZ [1,0,0,0,0,0|2,0,1]=4 60 B12R1.20 FC(C(c1ccc(cc1)N)F)F 1P027Y48 [1,0,0,0,0,0|3,0,0]=4 61 B12R1.20 NC(c1ccc(cc1)Br)C(C)C 1P00BJU0 [1,0,0,0,0,0|3,0,0]=4 62 B12R1.20 NC(c1ccc(cc1)Br)C(C)C 1P01E1MR [1,0,0,0,0,0|3,0,0]=4 63 B12R1.20 NC(c1ccc(cc1)Cl)C(C)C 1P003B6F [1,0,0,0,0,0|3,0,0]=4 64 B12R1.20 NC(c1ccc(cc1)Cl)C(C)C 1P00G4L4 [1,0,0,0,0,0|3,0,0]=4 65 B12R1.20 NC(c1ccc(cc1)F)C(C)C 1P00ASSZ [1,0,0,0,0,0|3,0,0]=4 66 B12R1.20 N[C@@H](c1ccc(cc1)Br)C(C)C 1P00A05V [1,0,0,0,0,0|3,0,0]=4 67 B12R1.20 N[C@@H](c1ccc(cc1)F)C(C)C 1P009IV0 [1,0,0,0,0,0|3,0,0]=4 68 B12R1.20 N[C@H](c1ccc(cc1)Br)C(C)C 1P00A087 [1,0,0,0,0,0|3,0,0]=4 69 B12R1.20 N[C@H](c1ccc(cc1)F)C(C)C 1P009IV2 [1,0,0,0,0,0|3,0,0]=4 70 B12R1.20 N[C@H](c1ccc(cc1)F)[C@@H](O)C 1P024HSB [1,0,0,0,0,0|3,0,0]=4 71 B12R1.20 OC(=O)C(c1ccc(cc1)O)O 1P000Q5A [1,0,0,0,0,0|2,0,1]=4 72 B12R1.20 OC(=O)C(c1ccc(cc1)O)O 1P003Q9T [1,0,0,0,0,0|2,0,1]=4 73 B12R1.20 OC(=O)[C@H](c1ccc(cc1)O)O 1P009JAJ [1,0,0,0,0,0|2,0,1]=4 74 B12R1.20 OC(c1ccc(cc1)Br)C(=O)O 1P003LGT [1,0,0,0,0,0|2,0,1]=4 75 B12R1.20 OC(c1ccc(cc1)Br)C(F)F 1P019EDV [1,0,0,0,0,0|3,0,0]=4 76 B12R1.20 OC(c1ccc(cc1)Br)C(N)C 1P01A85M [1,0,0,0,0,0|1,0,0]=2 77 B12R1.20 OC(c1ccc(cc1)C)C(=O)O 1P00AQ8R [1,0,0,0,0,0|2,0,1]=4 78 B12R1.20 OC(c1ccc(cc1)Cl)C(=O)O 1P003LO4 [1,0,0,0,0,0|2,0,1]=4 79 B12R1.20 OC(c1ccc(cc1)Cl)C(C)C 1P01A2GR [1,0,0,0,0,0|2,0,0]=3 80 B12R1.20 OC(c1ccc(cc1)Cl)C(N)C 1P00BDVF [1,0,0,0,0,0|1,0,0]=2 81 B12R1.20 OC(c1ccc(cc1)Cl)C(N)C 1P019TKY [1,0,0,0,0,0|1,0,0]=2 82 B12R1.20 OC(c1ccc(cc1)F)C(=O)O 1P003LW7 [1,0,0,0,0,0|2,0,1]=4 83 B12R1.20 OC(c1ccc(cc1)F)C(N)C 1P01AHY8 [1,0,0,0,0,0|1,0,0]=2 84 B12R1.20 OC(c1ccc(cc1)N)C(=O)O 1P01A1GU [1,0,0,0,0,0|1,0,1]=3 85 B12R1.20 OC(c1ccc(cc1)N)C(=O)O 1P02013Q [1,0,0,0,0,0|1,0,1]=3 86 B12R1.20 O[C@@H](c1ccc(cc1)Br)C(=O)O 1P00HHRY [1,0,0,0,0,0|2,0,1]=4 87 B12R1.20 O[C@@H](c1ccc(cc1)Br)C(F)F 1P0292AE [1,0,0,0,0,0|3,0,0]=4 88 B12R1.20 O[C@@H](c1ccc(cc1)C)C(=O)O 1P0282AZ [1,0,0,0,0,0|2,0,1]=4 89 B12R1.20 O[C@@H](c1ccc(cc1)Cl)C(=O)O 1P005Y97 [1,0,0,0,0,0|2,0,1]=4 90 B12R1.20 O[C@@H](c1ccc(cc1)F)C(=O)O 1P01XDB0 [1,0,0,0,0,0|2,0,1]=4 91 B12R1.20 O[C@H](c1ccc(cc1)Br)C(=O)O 1P00BYDC [1,0,0,0,0,0|2,0,1]=4 92 B12R1.20 O[C@H](c1ccc(cc1)Br)C(F)F 1P028FML [1,0,0,0,0,0|3,0,0]=4 93 B12R1.20 O[C@H](c1ccc(cc1)C)C(=O)O 1P003HU9 [1,0,0,0,0,0|2,0,1]=4 94 B12R1.20 O[C@H](c1ccc(cc1)Cl)C(=O)O 1P0037U2 [1,0,0,0,0,0|2,0,1]=4 95 B12R1.34 CCC(C(=O)c1ccccc1)N 1P01EAC5 [1,0,0,0,0,0|1,0,2]=4 96 B12R1.34 CCC(C(c1ccccc1)C)N 1P019U5I [1,0,0,0,0,0|2,0,0]=3 97 B12R1.34 CCC(C(c1ccccc1)N)C 1P00IDOC [1,0,0,0,0,0|3,0,0]=4 98 B12R1.34 CCC(C(c1ccccc1)O)N 1P00ENQI [1,0,0,0,0,0|1,0,0]=2 99 B12R1.34 CCC(C(c1ccccc1)O)N 1P01AAPQ [1,0,0,0,0,0|1,0,0]=2 100 B12R1.34 NCC(C(c1ccccc1)C)N 1P01B969 [1,0,0,0,0,0|2,0,0]=3 101 B12R1.34 NCC(C(c1ccccc1)C)O 1P01B7H0 [1,0,0,0,0,0|3,0,0]=4 102 B12R1.34 OCC(C(=O)c1ccccc1)C 1P001XS0 [1,0,0,0,0,0|1,0,2]=4 103 B12R1.34 OCC(C(c1ccccc1)C)N 1P01AHV9 [1,0,0,0,0,0|1,0,0]=2 104 B12R1.34 OCC(C(c1ccccn1)O)N 1P01C0T6 [1,0,0,0,0,0|1,0,0]=2 105 B12R1.34 OCC(C(c1cccnc1)O)N 1P01C0RF [1,0,0,0,0,0|1,0,0]=2 106 B12R1.34 OCC(C(c1ccncc1)O)N 1P01C105 [1,0,0,0,0,0|1,0,0]=2 107 B12R1.34 OC[C@@H]([C@H](c1ccccc1)O)N 1P003BZA [1,0,0,0,0,0|0,0,0]=1 108 B12R1.34 OC[C@H]([C@@H](c1ccccc1)O)N 1P003BX5 [1,0,0,0,0,0|0,0,0]=1 109 B12R1.49 C=CC(Cc1ccc(cc1)Cl)N 1P0280YA [1,0,0,0,0,0|2,0,1]=4 110 B12R1.49 CCC(Cc1ccc(cc1)Br)N 1P01B75H [1,0,0,0,0,0|2,0,0]=3 111 B12R1.49 CCC(Cc1ccc(cc1)C)N 1P00B8C1 [1,0,0,0,0,0|2,0,0]=3 112 B12R1.49 CCC(Cc1ccc(cc1)C)O 1P019SLJ [1,0,0,0,0,0|3,0,0]=4 113 B12R1.49 CCC(Cc1ccc(cc1)Cl)N 1P00BESL [1,0,0,0,0,0|2,0,0]=3 114 B12R1.49 CCC(Cc1ccc(cc1)F)N 1P00C4E1 [1,0,0,0,0,0|2,0,0]=3 115 B12R1.49 CCC(Cc1ccc(cc1)O)N 1P01A7DK [1,0,0,0,0,0|2,0,0]=3 116 B12R1.49 CCC(Oc1ccc(cc1)N)C 1P00EEKR [1,0,0,0,0,0|3,0,0]=4 117 B12R1.49 CCC(Oc1ccc(cc1)N)C 1P00J278 [1,0,0,0,0,0|3,0,0]=4 118 B12R1.49 CCN(Cc1ccc(cc1)N)C 1P019YRC [1,0,0,0,0,0|3,0,0]=4 119 B12R1.49 NCC(Cc1ccc(cc1)Br)O 1P028620 [1,0,0,0,0,0|3,0,0]=4 120 B12R1.49 NCC(Cc1ccc(cc1)C)N 1P01EKI5 [1,0,0,0,0,0|2,0,0]=3 121 B12R1.49 NCC(Cc1ccc(cc1)C)O 1P027U4C [1,0,0,0,0,0|3,0,0]=4 122 B12R1.49 NCC(Cc1ccc(cc1)Cl)O 1P01BAQC [1,0,0,0,0,0|3,0,0]=4 123 B12R1.49 NCC(Cc1ccc(cc1)Cl)O 1P0290EV [1,0,0,0,0,0|3,0,0]=4 124 B12R1.49 NCC(Cc1ccc(cc1)F)O 1P01BIVQ [1,0,0,0,0,0|3,0,0]=4 125 B12R1.49 OCC(=O)Cc1ccc(cc1)F 1P019Z6K [1,0,0,0,0,0|2,0,1]=4 126 B12R1.49 OCC(=O)Nc1ccc(cc1)N 1P01DEDA [1,0,0,0,0,0|2,0,1]=4 127 B12R1.49 OCC(Cc1ccc(cc1)C)N 1P00CNDM [1,0,0,0,0,0|1,0,0]=2 128 B12R1.49 OCC(Cc1ccc(cc1)C)N 1P01B1SU [1,0,0,0,0,0|1,0,0]=2 129 B12R1.49 OCC(Cc1ccc(cc1)Cl)N 1P00188V [1,0,0,0,0,0|1,0,0]=2 130 B12R1.49 OCC(Cc1ccc(cc1)Cl)N 1P003Q9R [1,0,0,0,0,0|1,0,0]=2 131 B12R1.49 OCC(Cc1ccc(cc1)F)C 1P01ADFP [1,0,0,0,0,0|2,0,0]=3 132 B12R1.49 OCC(Cc1ccc(cc1)F)N 1P01A498 [1,0,0,0,0,0|1,0,0]=2 133 B12R1.49 OCC(Cc1ccc(cc1)F)N 1P01BDZN [1,0,0,0,0,0|1,0,0]=2 134 B12R1.49 OCC(Cc1ccc(cc1)I)N 1P00I37R [1,0,0,0,0,0|1,0,0]=2 135 B12R1.49 OCC(Cc1ccc(cc1)I)N 1P01BI09 [1,0,0,0,0,0|1,0,0]=2 136 B12R1.49 OCC(Cc1ccc(cc1)N)F 1P028X6K [1,0,0,0,0,0|1,0,0]=2 137 B12R1.49 OCC(Cc1ccc(cc1)O)N 1P01B4HI [1,0,0,0,0,0|1,0,0]=2 138 B12R1.49 OC[C@@H](Cc1ccc(cc1)Cl)N 1P00BJSP [1,0,0,0,0,0|1,0,0]=2 139 B12R1.49 OC[C@@H](Cc1ccc(cc1)F)N 1P00CND0 [1,0,0,0,0,0|1,0,0]=2 140 B12R1.49 OC[C@@H](Cc1ccc(cc1)F)N 1P01DE71 [1,0,0,0,0,0|1,0,0]=2 141 B12R1.49 OC[C@@H](Cc1ccc(cc1)O)N 1P003QD1 [1,0,0,0,0,0|1,0,0]=2 142 B12R1.49 OC[C@@H](Oc1ccc(cc1)Cl)C 1P004KL8 [1,0,0,0,0,0|3,0,0]=4 143 B12R1.49 OC[C@H](Cc1ccc(cc1)Br)N 1P01JM4D [1,0,0,0,0,0|1,0,0]=2 144 B12R1.49 OC[C@H](Cc1ccc(cc1)C)N 1P01JM2C [1,0,0,0,0,0|1,0,0]=2 145 B12R1.49 OC[C@H](Cc1ccc(cc1)Cl)N 1P0028CV [1,0,0,0,0,0|1,0,0]=2 146 B12R1.49 OC[C@H](Cc1ccc(cc1)Cl)N 1P019GEA [1,0,0,0,0,0|1,0,0]=2 147 B12R1.49 OC[C@H](Cc1ccc(cc1)F)N 1P002D3T [1,0,0,0,0,0|1,0,0]=2 148 B12R1.49 OC[C@H](Cc1ccc(cc1)N)N 1P00FI1E [1,0,0,0,0,0|0,0,0]=1 149 B12R1.49 OC[C@H](Cc1ccc(cc1)O)N 1P0035KS [1,0,0,0,0,0|1,0,0]=2 150 B12R1.49 ON=C(Cc1ccc(cc1)F)N 1P00CI0U [1,0,0,0,0,0|2,0,1]=4 151 B12R1.49 ONC(=O)Cc1ccc(cc1)N 1P028WN8 [1,0,0,0,0,0|2,0,1]=4 152 B12R1.49 O\N=C(/Cc1ccc(cc1)Br)\N 1P00C80E [1,0,0,0,0,0|2,0,1]=4 153 B12R1.49 O\N=C(\Cc1ccc(cc1)Cl)/N 1P00FD1K [1,0,0,0,0,0|2,0,1]=4 154 B12R1.49 O\N=C(\Cc1ccc(cc1)F)/N 1P00J167 [1,0,0,0,0,0|2,0,1]=4 155 B14R1.7 OC[C@@H]([C@H](c1ccc(cc1)SC)O)N 1P001YLG [0,1,0,0,0,0|1,0,0]=2 156 B14R1.132 OC(=O)C(C(c1ccc(cc1)O)O)O 1P0001PM [0,1,0,0,0,0|2,0,1]=4 157 B14R1.132 OC(c1ccc(cc1)Cl)C(C(C)C)N 1P01B7FS [0,1,0,0,0,0|2,0,0]=3 158 B14R1.1003 OCC(C(c1ccc(c(c1)F)F)O)N 1P01AD17 [0,1,0,0,0,0|1,0,0]=2 159 B14R2.926 NC1CCCC1c2ccc(cc2)Br 1P028SVH [0,0,0,1,0,0|3,0,0]=4 160 B14R2.926 NC1CCCC1c2ccc(cc2)C 1P019SYU [0,0,0,1,0,0|3,0,0]=4 161 B14R2.926 NC1CCCC1c2ccc(cc2)Cl 1P01ALEN [0,0,0,1,0,0|3,0,0]=4 162 B14R2.926 NC1CCOC1c2ccc(cc2)Cl 1P01A537 [0,0,0,1,0,0|2,0,0]=3 163 B14R2.926 O[C@@H]1COC[C@H]1c2ccc(cc2)Br 1P028PH4 [0,0,0,1,0,0|3,0,0]=4 164 B14R2.10606 OC(c1ccc(cc1)Br)C2CCC2 1P00HGS4 [0,0,0,1,0,0|3,0,0]=4 165 B14R2.29369 N[C@@H]1CCc2c([C@H]1O)ccc(c2)Br 1P028N6J [0,0,0,1,0,0|2,0,0]=3 166 B14R1.10 OCC(NC(=O)c1ccc(cc1)N)C 1P01AB2V [0,0,0,0,0,1|1,0,2]=4 167 B11R1.1 BrCCCc1ccc(cc1)Br 1P01BLCU [2,0,0,0,0,0|2,0,0]=4 168 B11R1.1 BrCCCc1ccc(cc1)C 1P01A6EG [2,0,0,0,0,0|2,0,0]=4 169 B11R1.1 BrCCCc1ccc(cc1)Cl 1P0037IZ [2,0,0,0,0,0|2,0,0]=4 170 B11R1.1 BrCCCc1ccc(cc1)F 1P002ORA [2,0,0,0,0,0|2,0,0]=4 171 B11R1.1 BrCCCc1ccc(cc1)I 1P01BLFM [2,0,0,0,0,0|2,0,0]=4 172 B11R1.1 BrCCCc1ccc(cc1)O 1P006VWS [2,0,0,0,0,0|2,0,0]=4 173 B11R1.1 CCCCc1ccc(cc1)Br 1P00336L [2,0,0,0,0,0|2,0,0]=4 174 B11R1.1 CCCCc1ccc(cc1)Cl 1P001NZO [2,0,0,0,0,0|2,0,0]=4 175 B11R1.1 CCCCc1ccc(cc1)I 1P002IZU [2,0,0,0,0,0|2,0,0]=4 176 B11R1.1 CCCCc1ccc(cc1)N 1P003LI3 [2,0,0,0,0,0|1,0,0]=3 177 B11R1.1 CCCCc1ccc(cc1)O 1P001UUX [2,0,0,0,0,0|2,0,0]=4 178 B11R1.1 CCCCc1ccc(cc1)S 1P00DDOD [2,0,0,0,0,0|2,0,0]=4 179 B11R1.1 CCCOc1ccc(cc1)N 1P003MGN [2,0,0,0,0,0|2,0,0]=4 180 B11R1.1 CCNCc1ccc(cc1)N 1P0006EC [2,0,0,0,0,0|2,0,0]=4 181 B11R1.1 CCOCc1ccc(cc1)N 1P019TIW [2,0,0,0,0,0|2,0,0]=4 182 B11R1.1 CCSCc1ccc(cc1)N 1P01C1X8 [2,0,0,0,0,0|2,0,0]=4 183 B11R1.1 CNCCc1ccc(cc1)N 1P007J2S [2,0,0,0,0,0|2,0,0]=4 184 B11R1.1 COCCc1ccc(cc1)N 1P004NWE [2,0,0,0,0,0|2,0,0]=4 185 B11R1.1 CSCCc1ccc(cc1)N 1P01AAJ2 [2,0,0,0,0,0|2,0,0]=4 186 B11R1.1 ClCCCc1ccc(cc1)Br 1P0036ZE [2,0,0,0,0,0|2,0,0]=4 187 B11R1.1 ClCCCc1ccc(cc1)Cl 1P00EDKT [2,0,0,0,0,0|2,0,0]=4 188 B11R1.1 FCCOc1ccc(cc1)N 1P01CAV0 [2,0,0,0,0,0|2,0,0]=4 189 B11R1.1 ICCCc1ccc(cc1)F 1P0077E5 [2,0,0,0,0,0|2,0,0]=4 190 B11R1.1 N#CCCc1ccc(cc1)N 1P01C0OF [2,0,0,0,0,0|1,0,1]=4 191 B11R1.1 N#CCCc1ccc(cc1)N 1P028DQU [2,0,0,0,0,0|1,0,1]=4 192 B11R1.1 NC1=CC=C(C=C1)CCCN 1P01G057 [2,0,0,0,0,0|1,0,0]=3 193 B11R1.1 NCCCc1ccc(cc1)Br 1P00FHQ2 [2,0,0,0,0,0|2,0,0]=4 194 B11R1.1 NCCCc1ccc(cc1)Br 1P0284CP [2,0,0,0,0,0|2,0,0]=4 195 B11R1.1 NCCCc1ccc(cc1)C 1P00DDD0 [2,0,0,0,0,0|2,0,0]=4 196 B11R1.1 NCCCc1ccc(cc1)C 1P028H08 [2,0,0,0,0,0|2,0,0]=4 197 B11R1.1 NCCCc1ccc(cc1)Cl 1P0038D9 [2,0,0,0,0,0|2,0,0]=4 198 B11R1.1 NCCCc1ccc(cc1)Cl 1P01A8XK [2,0,0,0,0,0|2,0,0]=4 199 B11R1.1 NCCCc1ccc(cc1)F 1P00052B [2,0,0,0,0,0|2,0,0]=4 200 B11R1.1 NCCCc1ccc(cc1)F 1P01DP7M [2,0,0,0,0,0|2,0,0]=4 201 B11R1.1 NCCCc1ccc(cc1)I 1P027W38 [2,0,0,0,0,0|2,0,0]=4 202 B11R1.1 NCCCc1ccc(cc1)O 1P00VTXU [2,0,0,0,0,0|2,0,0]=4 203 B11R1.1 NCCOc1ccc(cc1)N 1P00FJM4 [2,0,0,0,0,0|2,0,0]=4 204 B11R1.1 NCCOc1ccc(cc1)N 1P00HVID [2,0,0,0,0,0|2,0,0]=4 205 B11R1.1 OCCCc1ccc(cc1)Br 1P003LG7 [2,0,0,0,0,0|1,0,0]=3 206 B11R1.1 OCCCc1ccc(cc1)C 1P00DGBS [2,0,0,0,0,0|1,0,0]=3 207 B11R1.1 OCCCc1ccc(cc1)Cl 1P00EABC [2,0,0,0,0,0|1,0,0]=3 208 B11R1.1 OCCCc1ccc(cc1)F 1P005XDJ [2,0,0,0,0,0|1,0,0]=3 209 B11R1.1 OCCCc1ccc(cc1)N 1P001DTD [2,0,0,0,0,0|0,0,0]=2 210 B11R1.1 OCCCc1ccc(cc1)O 1P000734 [2,0,0,0,0,0|1,0,0]=3 211 B11R1.1 OCCCc1ccc(cn1)Br 1P01OUH9 [2,0,0,0,0,0|2,0,0]=4 212 B11R1.1 OCCCc1ccc(nc1)Br 1P00FI1M [2,0,0,0,0,0|2,0,0]=4 213 B11R1.1 OCCCc1ccc(nc1)C 1P01ACVH [2,0,0,0,0,0|2,0,0]=4 214 B11R1.1 OCCNc1ccc(cc1)Br 1P01A04W [2,0,0,0,0,0|2,0,0]=4 215 B11R1.1 OCCNc1ccc(cc1)F 1P00ICHN [2,0,0,0,0,0|2,0,0]=4 216 B11R1.1 OCCNc1ccc(cc1)N 1P00B3XU [2,0,0,0,0,0|1,0,0]=3 217 B11R1.1 OCCOc1ccc(cc1)Br 1P00C0MX [2,0,0,0,0,0|2,0,0]=4 218 B11R1.1 OCCOc1ccc(cc1)C 1P001NU1 [2,0,0,0,0,0|2,0,0]=4 219 B11R1.1 OCCOc1ccc(cc1)Cl 1P002IJ8 [2,0,0,0,0,0|2,0,0]=4 220 B11R1.1 OCCOc1ccc(cc1)F 1P002YAD [2,0,0,0,0,0|2,0,0]=4 221 B11R1.1 OCCOc1ccc(cc1)I 1P01EV5Z [2,0,0,0,0,0|2,0,0]=4 222 B11R1.1 OCCOc1ccc(cc1)N 1P00J6OE [2,0,0,0,0,0|1,0,0]=3 223 B11R1.1 OCCOc1ccc(cc1)O 1P009Z1A [2,0,0,0,0,0|2,0,0]=4 224 B11R1.1 OCCOc1ccc(cn1)N 1P01A83F [2,0,0,0,0,0|2,0,0]=4 225 B11R1.1 OCCOc1ccc(cn1)N 1P01EMWB [2,0,0,0,0,0|2,0,0]=4 226 B11R1.1 OCCOc1ccc(nc1)N 1P028PHO [2,0,0,0,0,0|2,0,0]=4 227 B11R1.1 OCCSc1ccc(cc1)Br 1P00AXJC [2,0,0,0,0,0|2,0,0]=4 228 B11R1.1 OCCSc1ccc(cc1)Cl 1P007MJA [2,0,0,0,0,0|2,0,0]=4 229 B11R1.16 BrCCC(c1ccccc1)O 1P01BU72 [2,0,0,0,0,0|1,0,0]=3 230 B11R1.16 C=CCC(c1ccccc1)O 1P003F2U [2,0,0,0,0,0|1,0,1]=4 231 B11R1.16 CCCC(c1ccccc1)Br 1P028J5S [2,0,0,0,0,0|2,0,0]=4 232 B11R1.16 CCCC(c1ccccc1)N 1P007LFH [2,0,0,0,0,0|2,0,0]=4 233 B11R1.16 CCCC(c1ccccc1)N 1P00J1NH [2,0,0,0,0,0|2,0,0]=4 234 B11R1.16 CCCC(c1ccccc1)O 1P003F2B [2,0,0,0,0,0|1,0,0]=3 235 B11R1.16 CCCC(c1ccccn1)O 1P028Z4O [2,0,0,0,0,0|2,0,0]=4 236 B11R1.16 CNCC(c1ccccc1)O 1P003QA3 [2,0,0,0,0,0|2,0,0]=4 237 B11R1.16 COCC(c1ccccc1)O 1P01EMW6 [2,0,0,0,0,0|2,0,0]=4 238 B11R1.16 ClCCC(c1ccccc1)Br 1P00BETV [2,0,0,0,0,0|2,0,0]=4 239 B11R1.16 ClCCC(c1ccccc1)O 1P000P0F [2,0,0,0,0,0|1,0,0]=3 240 B11R1.16 ClCC[C@@H](c1ccccc1)O 1P000210 [2,0,0,0,0,0|1,0,0]=3 241 B11R1.16 ClCC[C@H](c1ccccc1)O 1P000211 [2,0,0,0,0,0|1,0,0]=3 242 B11R1.16 NCCC(c1ccccc1)C 1P0075ZN [2,0,0,0,0,0|2,0,0]=4 243 B11R1.16 NCCC(c1ccccc1)C 1P00J1J3 [2,0,0,0,0,0|2,0,0]=4 244 B11R1.16 NCCC(c1ccccc1)N 1P01A736 [2,0,0,0,0,0|2,0,0]=4 245 B11R1.16 NCCC(c1ccccc1)O 1P000FT8 [2,0,0,0,0,0|1,0,0]=3 246 B11R1.16 NCCC(c1ccccc1)O 1P006YZE [2,0,0,0,0,0|1,0,0]=3 247 B11R1.16 NCC[C@@H](c1ccccc1)O 1P000UKF [2,0,0,0,0,0|1,0,0]=3 248 B11R1.16 NCC[C@H](c1ccccc1)O 1P0019XH [2,0,0,0,0,0|1,0,0]=3 249 B11R1.16 OC(c1ccccc1)CC#C 1P00201G [2,0,0,0,0,0|1,0,1]=4 250 B11R1.16 OC(c1ccccc1)CC#N 1P007DUP [2,0,0,0,0,0|1,0,1]=4 251 B11R1.16 OCCC(=O)c1ccccc1 1P0036LN [2,0,0,0,0,0|0,0,2]=4 252 B11R1.16 OCCC(c1ccccc1)C 1P003KBY [2,0,0,0,0,0|1,0,0]=3 253 B11R1.16 OCCC(c1ccccc1)N 1P001DZI [2,0,0,0,0,0|1,0,0]=3 254 B11R1.16 OCCC(c1ccccc1)O 1P00DGFN [2,0,0,0,0,0|0,0,0]=2 255 B11R1.16 OCCC(c1ccccn1)N 1P02903M [2,0,0,0,0,0|2,0,0]=4 256 B11R1.16 OCCC(c1ccccn1)N 1P0292S9 [2,0,0,0,0,0|2,0,0]=4 257 B11R1.16 OCCC(c1ccccn1)O 1P00CGEO [2,0,0,0,0,0|1,0,0]=3 258 B11R1.16 OCCC(c1ccncc1)C 1P01EZ0E [2,0,0,0,0,0|2,0,0]=4 259 B11R1.16 OCCC(c1ccncc1)N 1P01B31E [2,0,0,0,0,0|2,0,0]=4 260 B11R1.16 OCCN(c1ccccc1)C 1P003BJB [2,0,0,0,0,0|2,0,0]=4 261 B11R1.16 OCC[C@@H](c1ccccc1)N 1P004Y9D [2,0,0,0,0,0|1,0,0]=3 262 B11R1.16 OCC[C@H](c1ccccc1)N 1P00385E [2,0,0,0,0,0|1,0,0]=3 263 B11R1.16 OCC[C@H](c1cccnc1)N 1P028MXF [2,0,0,0,0,0|2,0,0]=4 264 B11R1.16 O[C@@H](c1ccccc1)CC#N 1P00FWTX [2,0,0,0,0,0|1,0,1]=4 265 B11R1.16 O[C@H](c1ccccc1)CC#N 1P01EMW1 [2,0,0,0,0,0|1,0,1]=4 266 B11R1.22 BrCC(c1ccc(cc1)Br)O 1P01B32O [2,0,0,0,0,0|2,0,0]=4 267 B11R1.22 BrCC(c1ccc(cc1)Cl)O 1P01C2RX [2,0,0,0,0,0|2,0,0]=4 268 B11R1.22 BrC[C@@H](c1ccc(cc1)Br)O 1P01DJ70 [2,0,0,0,0,0|2,0,0]=4 269 B11R1.22 BrC[C@@H](c1ccc(cc1)F)O 1P024ICK [2,0,0,0,0,0|2,0,0]=4 270 B11R1.22 CCC(=O)c1ccc(cc1)N 1P005HAZ [2,0,0,0,0,0|0,0,2]=4 271 B11R1.22 CCC(c1ccc(cc1)Br)N 1P005H3D [2,0,0,0,0,0|2,0,0]=4 272 B11R1.22 CCC(c1ccc(cc1)Br)N 1P019N35 [2,0,0,0,0,0|2,0,0]=4 273 B11R1.22 CCC(c1ccc(cc1)Br)O 1P00DD7W [2,0,0,0,0,0|1,0,0]=3 274 B11R1.22 CCC(c1ccc(cc1)C)N 1P0020AU [2,0,0,0,0,0|2,0,0]=4 275 B11R1.22 CCC(c1ccc(cc1)C)N 1P00J1NC [2,0,0,0,0,0|2,0,0]=4 276 B11R1.22 CCC(c1ccc(cc1)C)O 1P003DH8 [2,0,0,0,0,0|1,0,0]=3 277 B11R1.22 CCC(c1ccc(cc1)Cl)Br 1P019YD3 [2,0,0,0,0,0|2,0,0]=4 278 B11R1.22 CCC(c1ccc(cc1)Cl)N 1P00G4ZX [2,0,0,0,0,0|2,0,0]=4 279 B11R1.22 CCC(c1ccc(cc1)Cl)N 1P00GAQI [2,0,0,0,0,0|2,0,0]=4 280 B11R1.22 CCC(c1ccc(cc1)Cl)O 1P009HVZ [2,0,0,0,0,0|1,0,0]=3 281 B11R1.22 CCC(c1ccc(cc1)F)Cl 1P01AKB3 [2,0,0,0,0,0|2,0,0]=4 282 B11R1.22 CCC(c1ccc(cc1)F)N 1P005SWG [2,0,0,0,0,0|2,0,0]=4 283 B11R1.22 CCC(c1ccc(cc1)F)N 1P0096RS [2,0,0,0,0,0|2,0,0]=4 284 B11R1.22 CCC(c1ccc(cc1)F)O 1P00FETH [2,0,0,0,0,0|1,0,0]=3 285 B11R1.22 CCC(c1ccc(cc1)N)C 1P002ZWD [2,0,0,0,0,0|1,0,0]=3 286 B11R1.22 CCC(c1ccc(cc1)O)C 1P003MHH [2,0,0,0,0,0|2,0,0]=4 287 B11R1.22 CCC(c1ccc(cc1)O)C 1P00BEN8 [2,0,0,0,0,0|2,0,0]=4 288 B11R1.22 CCC(c1ccc(cc1)O)N 1P0009DJ [2,0,0,0,0,0|2,0,0]=4 289 B11R1.22 CCC(c1ccc(cc1)O)O 1P01AI01 [2,0,0,0,0,0|1,0,0]=3 290 B11R1.22 CCC(c1ccc(cn1)Br)O 1P0291O7 [2,0,0,0,0,0|2,0,0]=4 291 B11R1.22 CCC(c1ccc(cn1)F)O 1P01BB0C [2,0,0,0,0,0|2,0,0]=4 292 B11R1.22 CCC(c1ccc(nc1)Br)O 1P028F7N [2,0,0,0,0,0|2,0,0]=4 293 B11R1.22 CCN(c1ccc(cc1)N)C 1P00BI80 [2,0,0,0,0,0|2,0,0]=4 294 B11R1.22 CC[C@@H](c1ccc(cc1)Br)N 1P0096MH [2,0,0,0,0,0|2,0,0]=4 295 B11R1.22 CC[C@@H](c1ccc(cc1)C)N 1P000DPU [2,0,0,0,0,0|2,0,0]=4 296 B11R1.22 CC[C@@H](c1ccc(cc1)Cl)N 1P000VZ0 [2,0,0,0,0,0|2,0,0]=4 297 B11R1.22 CC[C@@H](c1ccc(cc1)F)N 1P000F7I [2,0,0,0,0,0|2,0,0]=4 298 B11R1.22 CC[C@@H](c1ccc(cc1)F)N 1P00DLXZ [2,0,0,0,0,0|2,0,0]=4 299 B11R1.22 CC[C@@H](c1ccc(cc1)F)O 1P00AKPY [2,0,0,0,0,0|1,0,0]=3 300 B11R1.22 CC[C@@H](c1ccc(cc1)I)N 1P01XCCG [2,0,0,0,0,0|2,0,0]=4 301 B11R1.22 CC[C@H](c1ccc(cc1)Br)N 1P00GAQB [2,0,0,0,0,0|2,0,0]=4 302 B11R1.22 CC[C@H](c1ccc(cc1)Br)N 1P01DUMG [2,0,0,0,0,0|2,0,0]=4 303 B11R1.22 CC[C@H](c1ccc(cc1)Cl)N 1P001KQZ [2,0,0,0,0,0|2,0,0]=4 304 B11R1.22 CC[C@H](c1ccc(cc1)F)N 1P000DVC [2,0,0,0,0,0|2,0,0]=4 305 B11R1.22 CC[C@H](c1ccc(cc1)F)N 1P00BLNR [2,0,0,0,0,0|2,0,0]=4 306 B11R1.22 CC[C@H](c1ccc(cc1)F)O 1P00AQ92 [2,0,0,0,0,0|1,0,0]=3 307 B11R1.22 CC[C@H](c1ccc(cc1)I)N 1P01XCKG [2,0,0,0,0,0|2,0,0]=4 308 B11R1.22 COC(c1ccc(cc1)N)C 1P01EILJ [2,0,0,0,0,0|2,0,0]=4 309 B11R1.22 ClCC(c1ccc(cc1)Cl)O 1P00EB5B [2,0,0,0,0,0|2,0,0]=4 310 B11R1.22 ClC[C@@H](c1ccc(cc1)Br)O 1P019QXR [2,0,0,0,0,0|2,0,0]=4 311 B11R1.22 ClC[C@@H](c1ccc(cc1)C)O 1P01BFAY [2,0,0,0,0,0|2,0,0]=4 312 B11R1.22 ClC[C@@H](c1ccc(cc1)Cl)O 1P019QXO [2,0,0,0,0,0|2,0,0]=4 313 B11R1.22 ClC[C@@H](c1ccc(cc1)F)O 1P000TDN [2,0,0,0,0,0|2,0,0]=4 314 B11R1.22 ClC[C@H](c1ccc(cc1)Br)O 1P019QXQ [2,0,0,0,0,0|2,0,0]=4 315 B11R1.22 ClC[C@H](c1ccc(cc1)C)O 1P01BFA2 [2,0,0,0,0,0|2,0,0]=4 316 B11R1.22 ClC[C@H](c1ccc(cc1)Cl)O 1P019QXP [2,0,0,0,0,0|2,0,0]=4 317 B11R1.22 ClC[C@H](c1ccc(cc1)F)O 1P000TDO [2,0,0,0,0,0|2,0,0]=4 318 B11R1.22 FCC(c1ccc(cc1)Br)O 1P01DW52 [2,0,0,0,0,0|2,0,0]=4 319 B11R1.22 FCC(c1ccc(cc1)C)O 1P02902W [2,0,0,0,0,0|2,0,0]=4 320 B11R1.22 FCC(c1ccc(cc1)F)O 1P01EC3U [2,0,0,0,0,0|2,0,0]=4 321 B11R1.22 NCC(c1ccc(cc1)Br)C 1P00BNUD [2,0,0,0,0,0|2,0,0]=4 322 B11R1.22 NCC(c1ccc(cc1)Br)C 1P00I5CR [2,0,0,0,0,0|2,0,0]=4 323 B11R1.22 NCC(c1ccc(cc1)Br)F 1P01DX4X [2,0,0,0,0,0|2,0,0]=4 324 B11R1.22 NCC(c1ccc(cc1)Br)O 1P00C93N [2,0,0,0,0,0|1,0,0]=3 325 B11R1.22 NCC(c1ccc(cc1)Br)O 1P00G5UD [2,0,0,0,0,0|1,0,0]=3 326 B11R1.22 NCC(c1ccc(cc1)C)C 1P01AK9Z [2,0,0,0,0,0|2,0,0]=4 327 B11R1.22 NCC(c1ccc(cc1)C)O 1P00DFV0 [2,0,0,0,0,0|1,0,0]=3 328 B11R1.22 NCC(c1ccc(cc1)C)O 1P01A1CF [2,0,0,0,0,0|1,0,0]=3 329 B11R1.22 NCC(c1ccc(cc1)Cl)N 1P01B8TX [2,0,0,0,0,0|2,0,0]=4 330 B11R1.22 NCC(c1ccc(cc1)Cl)O 1P00COXE [2,0,0,0,0,0|1,0,0]=3 331 B11R1.22 NCC(c1ccc(cc1)Cl)O 1P00IBMC [2,0,0,0,0,0|1,0,0]=3 332 B11R1.22 NCC(c1ccc(cc1)F)C 1P019XO4 [2,0,0,0,0,0|2,0,0]=4 333 B11R1.22 NCC(c1ccc(cc1)F)O 1P006ZZ6 [2,0,0,0,0,0|1,0,0]=3 334 B11R1.22 NCC(c1ccc(cc1)F)O 1P00I8D9 [2,0,0,0,0,0|1,0,0]=3 335 B11R1.22 NCC(c1ccc(cc1)O)O 1P005F75 [2,0,0,0,0,0|1,0,0]=3 336 B11R1.22 NC[C@@H](c1ccc(cc1)Br)O 1P028WO8 [2,0,0,0,0,0|1,0,0]=3 337 B11R1.22 NC[C@@H](c1ccc(cc1)Cl)O 1P01AM6U [2,0,0,0,0,0|1,0,0]=3 338 B11R1.22 NC[C@@H](c1ccc(cc1)F)O 1P01BEXA [2,0,0,0,0,0|1,0,0]=3 339 B11R1.22 NC[C@H](c1ccc(cc1)Br)O 1P028X1H [2,0,0,0,0,0|1,0,0]=3 340 B11R1.22 NC[C@H](c1ccc(cc1)Cl)O 1P00CL7P [2,0,0,0,0,0|1,0,0]=3 341 B11R1.22 NC[C@H](c1ccc(cc1)F)O 1P01BEX0 [2,0,0,0,0,0|1,0,0]=3 342 B11R1.22 OCC(c1ccc(cc1)Br)C 1P01BDW6 [2,0,0,0,0,0|2,0,0]=4 343 B11R1.22 OCC(c1ccc(cc1)Br)N 1P002DUI [2,0,0,0,0,0|2,0,0]=4 344 B11R1.22 OCC(c1ccc(cc1)Br)N 1P00I0IB [2,0,0,0,0,0|2,0,0]=4 345 B11R1.22 OCC(c1ccc(cc1)Br)O 1P00IHHB [2,0,0,0,0,0|1,0,0]=3 346 B11R1.22 OCC(c1ccc(cc1)C)N 1P00APMR [2,0,0,0,0,0|2,0,0]=4 347 B11R1.22 OCC(c1ccc(cc1)C)N 1P020LA5 [2,0,0,0,0,0|2,0,0]=4 348 B11R1.22 OCC(c1ccc(cc1)Cl)N 1P0027R0 [2,0,0,0,0,0|2,0,0]=4 349 B11R1.22 OCC(c1ccc(cc1)Cl)N 1P01A4ST [2,0,0,0,0,0|2,0,0]=4 350 B11R1.22 OCC(c1ccc(cc1)F)C 1P01DWZF [2,0,0,0,0,0|2,0,0]=4 351 B11R1.22 OCC(c1ccc(cc1)F)N 1P001CQS [2,0,0,0,0,0|2,0,0]=4 352 B11R1.22 OCC(c1ccc(cc1)F)N 1P009ZPR [2,0,0,0,0,0|2,0,0]=4 353 B11R1.22 OCC(c1ccc(cc1)F)O 1P00AZQQ [2,0,0,0,0,0|1,0,0]=3 354 B11R1.22 OCC(c1ccc(cc1)I)O 1P0292Z9 [2,0,0,0,0,0|1,0,0]=3 355 B11R1.22 OCC(c1ccc(cc1)O)N 1P01XBLJ [2,0,0,0,0,0|2,0,0]=4 356 B11R1.22 OCC(c1ccc(cc1)O)O 1P00BUYO [2,0,0,0,0,0|1,0,0]=3 357 B11R1.22 OC[C@@H](c1ccc(cc1)Br)N 1P002FUR [2,0,0,0,0,0|2,0,0]=4 358 B11R1.22 OC[C@@H](c1ccc(cc1)Br)N 1P00CAT4 [2,0,0,0,0,0|2,0,0]=4 359 B11R1.22 OC[C@@H](c1ccc(cc1)Br)O 1P024VC5 [2,0,0,0,0,0|1,0,0]=3 360 B11R1.22 OC[C@@H](c1ccc(cc1)C)N 1P00ELZT [2,0,0,0,0,0|2,0,0]=4 361 B11R1.22 OC[C@@H](c1ccc(cc1)C)N 1P01KKKE [2,0,0,0,0,0|2,0,0]=4 362 B11R1.22 OC[C@@H](c1ccc(cc1)Cl)N 1P003AU5 [2,0,0,0,0,0|2,0,0]=4 363 B11R1.22 OC[C@@H](c1ccc(cc1)Cl)N 1P009ZOA [2,0,0,0,0,0|2,0,0]=4 364 B11R1.22 OC[C@@H](c1ccc(cc1)Cl)O 1P006USY [2,0,0,0,0,0|1,0,0]=3 365 B11R1.22 OC[C@@H](c1ccc(cc1)F)N 1P0020EW [2,0,0,0,0,0|2,0,0]=4 366 B11R1.22 OC[C@@H](c1ccc(cc1)I)N 1P024G3H [2,0,0,0,0,0|2,0,0]=4 367 B11R1.22 OC[C@H](c1ccc(cc1)Br)N 1P00CAT6 [2,0,0,0,0,0|2,0,0]=4 368 B11R1.22 OC[C@H](c1ccc(cc1)Br)N 1P01DUMK [2,0,0,0,0,0|2,0,0]=4 369 B11R1.22 OC[C@H](c1ccc(cc1)Br)O 1P024FUV [2,0,0,0,0,0|1,0,0]=3 370 B11R1.22 OC[C@H](c1ccc(cc1)C)N 1P00CMIN [2,0,0,0,0,0|2,0,0]=4 371 B11R1.22 OC[C@H](c1ccc(cc1)Cl)N 1P002FIM [2,0,0,0,0,0|2,0,0]=4 372 B11R1.22 OC[C@H](c1ccc(cc1)Cl)N 1P0096MP [2,0,0,0,0,0|2,0,0]=4 373 B11R1.22 OC[C@H](c1ccc(cc1)F)N 1P000WY1 [2,0,0,0,0,0|2,0,0]=4 374 B11R1.22 OC[C@H](c1ccc(cc1)F)N 1P00C41E [2,0,0,0,0,0|2,0,0]=4 375 B11R1.22 OC[C@H](c1ccc(cc1)I)N 1P01KL18 [2,0,0,0,0,0|2,0,0]=4 376 B11R1.22 OC[C@H](c1ccc(cc1)O)N 1P01DL5N [2,0,0,0,0,0|2,0,0]=4 377 B11R1.20 CC(Cc1ccc(cc1)Br)C 1P002ACM [2,0,0,0,0,0|2,0,0]=4 378 B11R1.20 CC(Cc1ccc(cc1)F)Br 1P01DXNU [2,0,0,0,0,0|2,0,0]=4 379 B11R1.20 CC(Cc1ccc(cc1)F)O 1P00DO4L [2,0,0,0,0,0|2,0,0]=4 380 B11R1.20 CC(Cc1ccc(cc1)I)N 1P007PB0 [2,0,0,0,0,0|1,0,0]=3 381 B11R1.20 CC(Cc1ccc(cc1)N)C 1P00BGLP [2,0,0,0,0,0|1,0,0]=3 382 B11R1.20 CC(Cc1ccc(cc1)N)C 1P01A1S9 [2,0,0,0,0,0|1,0,0]=3 383 B11R1.20 CC(Cc1ccc(cc1)O)C 1P00C74Z [2,0,0,0,0,0|2,0,0]=4 384 B11R1.20 CC(Cc1ccc(cc1)O)N 1P01G8YJ [2,0,0,0,0,0|1,0,0]=3 385 B11R1.20 CC(Cc1ccc(cc1)O)O 1P028VHS [2,0,0,0,0,0|2,0,0]=4 386 B11R1.20 CC(Oc1ccc(cc1)N)C 1P0036ZG [2,0,0,0,0,0|2,0,0]=4 387 B11R1.20 CC(Oc1ccc(cc1)N)C 1P00BIXU [2,0,0,0,0,0|2,0,0]=4 388 B11R1.20 CN(Cc1ccc(cc1)N)C 1P0034A0 [2,0,0,0,0,0|2,0,0]=4 389 B11R1.20 NC(=O)Cc1ccc(cc1)N 1P00FJU0 [2,0,0,0,0,0|0,0,2]=4 390 B11R1.20 NC(=S)Cc1ccc(cc1)N 1P01L083 [2,0,0,0,0,0|0,1,1]=4 391 B11R1.20 OC(=O)Cc1ccc(cc1)N 1P000PYE [2,0,0,0,0,0|1,0,1]=4 392 B11R1.36 BrC(c1ccccc1)C(C)C 1P019ZQP [2,0,0,0,0,0|2,0,0]=4 393 B11R1.36 CC(C(c1ccccn1)O)C 1P01A93C [2,0,0,0,0,0|2,0,0]=4 394 B11R1.36 CC(c1ccccc1)C(C)C 1P003BVB [2,0,0,0,0,0|2,0,0]=4 395 B11R1.36 CC(c1ccccc1)C(N)C 1P019TZS [2,0,0,0,0,0|1,0,0]=3 396 B11R1.36 CC(c1ccccc1)C(O)C 1P00DNX0 [2,0,0,0,0,0|2,0,0]=4 397 B11R1.36 ClC(c1ccccc1)C(C)C 1P01AM0B [2,0,0,0,0,0|2,0,0]=4 398 B11R1.36 NC(c1ccccc1)C(C)C 1P0039ZZ [2,0,0,0,0,0|2,0,0]=4 399 B11R1.36 NC(c1ccccc1)C(C)C 1P006JF3 [2,0,0,0,0,0|2,0,0]=4 400 B11R1.36 NC(c1ccccc1)C(O)C 1P00DJHE [2,0,0,0,0,0|2,0,0]=4 401 B11R1.36 NC(c1ccccc1)C(O)C 1P01B7HY [2,0,0,0,0,0|2,0,0]=4 402 B11R1.36 N[C@@H](c1ccccc1)C(C)C 1P00395D [2,0,0,0,0,0|2,0,0]=4 403 B11R1.36 N[C@@H](c1ccccc1)C(C)C 1P007NHP [2,0,0,0,0,0|2,0,0]=4 404 B11R1.36 N[C@@H](c1ccccc1)[C@@H](O)C 1P01FSMK [2,0,0,0,0,0|2,0,0]=4 405 B11R1.36 N[C@@H](c1ccccc1)[C@H](O)C 1P01DE8C [2,0,0,0,0,0|2,0,0]=4 406 B11R1.36 N[C@H](c1ccccc1)C(C)C 1P005NMW [2,0,0,0,0,0|2,0,0]=4 407 B11R1.36 N[C@H](c1ccccc1)C(C)C 1P006GBW [2,0,0,0,0,0|2,0,0]=4 408 B11R1.36 N[C@H](c1ccccc1)[C@@H](O)C 1P00IFXM [2,0,0,0,0,0|2,0,0]=4 409 B11R1.36 N[C@H](c1ccccc1)[C@@H](O)C 1P01OSYC [2,0,0,0,0,0|2,0,0]=4 410 B11R1.36 N[C@H](c1ccccc1)[C@H](O)C 1P01DEDQ [2,0,0,0,0,0|2,0,0]=4 411 B11R1.36 OC(c1ccccc1)C(=O)C 1P006OD2 [2,0,0,0,0,0|1,0,1]=4 412 B11R1.36 OC(c1ccccc1)C(=O)N 1P003QAV [2,0,0,0,0,0|0,0,2]=4 413 B11R1.36 OC(c1ccccc1)C(=O)O 1P003790 [2,0,0,0,0,0|1,0,1]=4 414 B11R1.36 OC(c1ccccc1)C(C)C 1P003I25 [2,0,0,0,0,0|1,0,0]=3 415 B11R1.36 OC(c1ccccc1)C(F)F 1P019DAC [2,0,0,0,0,0|2,0,0]=4 416 B11R1.36 OC(c1ccncc1)C(N)C 1P01AAOY [2,0,0,0,0,0|1,0,0]=3 417 B11R1.36 O[C@@H](c1ccccc1)C(=O)N 1P003CYI [2,0,0,0,0,0|0,0,2]=4 418 B11R1.36 O[C@@H](c1ccccc1)C(=O)O 1P000Q83 [2,0,0,0,0,0|1,0,1]=4 419 B11R1.36 O[C@@H](c1ccccc1)C(=O)O 1P0035JL [2,0,0,0,0,0|1,0,1]=4 420 B11R1.36 O[C@@H](c1ccccc1)C(C)C 1P001LS8 [2,0,0,0,0,0|1,0,0]=3 421 B11R1.36 O[C@@H](c1ccccc1)C(F)F 1P01ALTG [2,0,0,0,0,0|2,0,0]=4 422 B11R1.36 O[C@H](c1ccccc1)C(=O)N 1P003CKR [2,0,0,0,0,0|0,0,2]=4 423 B11R1.36 O[C@H](c1ccccc1)C(=O)O 1P000Q82 [2,0,0,0,0,0|1,0,1]=4 424 B11R1.36 O[C@H](c1ccccc1)C(=O)O 1P0032UD [2,0,0,0,0,0|1,0,1]=4 425 B11R1.36 O[C@H](c1ccccc1)C(=O)O 1P01JVEL [2,0,0,0,0,0|1,0,1]=4 426 B11R1.36 O[C@H](c1ccccc1)C(C)C 1P007HNE [2,0,0,0,0,0|1,0,0]=3 427 B11R1.36 O[C@H](c1ccccc1)C(F)F 1P01BCSU [2,0,0,0,0,0|2,0,0]=4 428 B11R1.36 SC(c1ccccc1)C(C)C 1P0286I7 [2,0,0,0,0,0|1,1,0]=4 429 B11R1.40 C=C[C@@H](Cc1ccccc1)N 1P01EV25 [2,0,0,0,0,0|1,0,1]=4 430 B11R1.40 C=C[C@H](Cc1ccccc1)N 1P001GVE [2,0,0,0,0,0|1,0,1]=4 431 B11R1.40 CCC(Cc1ccccc1)Br 1P00572U [2,0,0,0,0,0|2,0,0]=4 432 B11R1.40 CCC(Cc1ccccc1)O 1P003F2N [2,0,0,0,0,0|2,0,0]=4 433 B11R1.40 CC[C@@H](Cc1ccccc1)N 1P00IFAA [2,0,0,0,0,0|1,0,0]=3 434 B11R1.40 CC[C@@H](Cc1ccccc1)O 1P019SKO [2,0,0,0,0,0|2,0,0]=4 435 B11R1.40 CC[C@H](Cc1ccccc1)N 1P028P0C [2,0,0,0,0,0|1,0,0]=3 436 B11R1.40 CC[C@H](Cc1ccccc1)O 1P019SKN [2,0,0,0,0,0|2,0,0]=4 437 B11R1.40 ClCC(Cc1ccccc1)O 1P00DRJS [2,0,0,0,0,0|2,0,0]=4 438 B11R1.40 ClC[C@H](Cc1ccccc1)O 1P01BAA5 [2,0,0,0,0,0|2,0,0]=4 439 B11R1.40 NC(Cc1ccccc1)C#C 1P028V90 [2,0,0,0,0,0|1,0,1]=4 440 B11R1.40 NC(Cc1ccccc1)C#N 1P00DL1I [2,0,0,0,0,0|1,0,1]=4 441 B11R1.40 NC(Cc1ccccc1)C#N 1P00II4N [2,0,0,0,0,0|1,0,1]=4 442 B11R1.40 NCC(Cc1ccccc1)F 1P024M92 [2,0,0,0,0,0|2,0,0]=4 443 B11R1.40 NCC(Cc1ccccc1)N 1P00GGIL [2,0,0,0,0,0|1,0,0]=3 444 B11R1.40 NCC(Cc1ccccc1)O 1P00DBQQ [2,0,0,0,0,0|2,0,0]=4 445 B11R1.40 NC[C@@H](Cc1ccccc1)N 1P008HQQ [2,0,0,0,0,0|1,0,0]=3 446 B11R1.40 NC[C@@H](Cc1ccccc1)O 1P00AOTD [2,0,0,0,0,0|2,0,0]=4 447 B11R1.40 NC[C@H](Cc1ccccc1)N 1P004ULE [2,0,0,0,0,0|1,0,0]=3 448 B11R1.40 NC[C@H](Cc1ccccc1)O 1P01FIAQ [2,0,0,0,0,0|2,0,0]=4 449 B11R1.40 OCC(Cc1ccccc1)C 1P005WO3 [2,0,0,0,0,0|1,0,0]=3 450 B11R1.40 OCC(Cc1ccccc1)N 1P001VWI [2,0,0,0,0,0|0,0,0]=2 451 B11R1.40 OCC(Cc1ccccn1)N 1P01BDEZ [2,0,0,0,0,0|1,0,0]=3 452 B11R1.40 OCC(Cc1cccnc1)N 1P01BDC0 [2,0,0,0,0,0|1,0,0]=3 453 B11R1.40 OCC(Cc1ccncc1)N 1P01BDD8 [2,0,0,0,0,0|1,0,0]=3 454 B11R1.40 OCC(Oc1ccccc1)C 1P003IBA [2,0,0,0,0,0|2,0,0]=4 455 B11R1.40 OC[C@@H](Cc1ccccc1)N 1P0032RI [2,0,0,0,0,0|0,0,0]=2 456 B11R1.40 OC[C@@H](Cc1ccccc1)O 1P008N06 [2,0,0,0,0,0|1,0,0]=3 457 B11R1.40 OC[C@@H](Oc1ccccc1)C 1P01XD8U [2,0,0,0,0,0|2,0,0]=4 458 B11R1.40 OC[C@H](Cc1ccccc1)Br 1P01FT15 [2,0,0,0,0,0|1,0,0]=3 459 B11R1.40 OC[C@H](Cc1ccccc1)N 1P0035KN [2,0,0,0,0,0|0,0,0]=2 460 B13R1.1 OCCN(c1ccc(cc1)N)CC 1P003TH4 [1,1,0,0,0,0|2,0,0]=4 461 B13R1.1 OCCN(c1ccc(cc1)N)CC 1P00H0VG [1,1,0,0,0,0|2,0,0]=4 462 B13R1.17 CCNCC(c1ccc(cc1)C)O 1P019T8S [1,1,0,0,0,0|2,0,0]=4 463 B13R1.17 COCCC(c1ccc(cc1)Cl)N 1P01A0D2 [1,1,0,0,0,0|2,0,0]=4 464 B13R1.17 COCCN(c1ccc(cc1)N)C 1P009GSJ [1,1,0,0,0,0|2,0,0]=4 465 B13R1.17 NCCCC(c1ccc(cc1)F)O 1P00VTQ0 [1,1,0,0,0,0|2,0,0]=4 466 B13R1.17 OCCCC(c1ccc(cc1)F)O 1P01C4PI [1,1,0,0,0,0|1,0,0]=3 467 B13R1.17 OCCNC(=O)c1ccc(cc1)N 1P00DE7R [1,1,0,0,0,0|0,0,2]=4 468 B13R1.29 OCCS(=O)(=O)c1ccc(cc1)N 1P00DBXO [1,1,0,0,0,0|1,0,1]=4 469 B13R1.29 OCCS(=O)(=O)c1ccc(cc1)N 1P01AIY9 [1,1,0,0,0,0|1,0,1]=4 470 B13R1.132 CC(c1ccc(cc1)N)CC(=O)O 1P01A6P7 [1,1,0,0,0,0|1,0,1]=4 471 B13R1.132 OC(=O)CC(c1ccc(cc1)O)O 1P01JMPL [1,1,0,0,0,0|1,0,1]=4 472 B13R1.132 OC(c1ccc(cc1)Cl)CC(=O)O 1P019UKB [1,1,0,0,0,0|1,0,1]=4 473 B13R1.132 OC(c1ccc(cc1)F)CC(=O)O 1P019YS2 [1,1,0,0,0,0|1,0,1]=4 474 B13R1.132 OC(c1ccc(cc1)F)CC(N)C 1P01A0SI [1,1,0,0,0,0|2,0,0]=4 475 B13R1.452 CCCC(c1ccc(cc1)OC)O 1P00BD9N [1,1,0,0,0,0|2,0,0]=4 476 B13R1.452 OCCC(c1ccc(cc1)OC)N 1P005Z1W [1,1,0,0,0,0|2,0,0]=4 477 B13R1.452 OCC[C@@H](c1ccc(cc1)OC)N 1P00GT24 [1,1,0,0,0,0|2,0,0]=4 478 B13R1.452 OCC[C@H](c1ccc(cc1)OC)N 1P008SOJ [1,1,0,0,0,0|2,0,0]=4 479 B13R1.466 ClCC[C@H](c1ccc(c(c1)Cl)Cl)O 1P000KVD [1,1,0,0,0,0|2,0,0]=4 480 B13R1.466 NCCC(c1ccc(c(c1)Cl)Cl)O 1P01BE41 [1,1,0,0,0,0|2,0,0]=4 481 B13R1.466 OCCC(c1ccc(c(c1)F)Cl)N 1P01BYDH [1,1,0,0,0,0|2,0,0]=4 482 B13R1.466 OCC[C@H](c1ccc(c(c1)F)Cl)N 1P027XM9 [1,1,0,0,0,0|2,0,0]=4 483 B13R1.1511 OCCC(c1ccc(cc1Cl)Cl)N 1P008OAV [1,1,0,0,0,0|2,0,0]=4 484 B13R1.1511 OCCC(c1ccc(cc1Cl)Cl)O 1P01JMRT [1,1,0,0,0,0|1,0,0]=3 485 B13R1.1511 OCCC(c1ccc(cc1F)F)N 1P028QOI [1,1,0,0,0,0|2,0,0]=4 486 B13R1.1511 OCC[C@H](c1ccc(cc1C)Br)N 1P01KKS9 [1,1,0,0,0,0|2,0,0]=4 487 B13R1.1511 OCC[C@H](c1ccc(cc1C)Br)N 1P01XCG4 [1,1,0,0,0,0|2,0,0]=4 488 B13R1.36 COc1ccc(cc1)C(C(C)C)O 1P00240T [1,1,0,0,0,0|2,0,0]=4 489 B13R1.36 COc1ccc(cc1)C(C(N)C)C 1P019TWF [1,1,0,0,0,0|2,0,0]=4 490 B13R1.36 COc1ccc(cc1)C(C(N)C)O 1P01A3EC [1,1,0,0,0,0|1,0,0]=3 491 B13R1.163 CC(C(c1ccc(cc1Cl)Cl)O)N 1P01ABU2 [1,1,0,0,0,0|1,0,0]=3 492 B13R1.510 CC(C(c1ccc(c(c1)C)F)O)N 1P028VEQ [1,1,0,0,0,0|1,0,0]=3 493 B13R1.510 CC(C(c1ccc(c(c1)F)C)O)N 1P028U9T [1,1,0,0,0,0|1,0,0]=3 494 B13R1.510 CC(C(c1ccc(c(c1)F)F)O)C 1P01A4I3 [1,1,0,0,0,0|2,0,0]=4 495 B13R1.510 CC(C(c1ccc(c(c1)F)F)O)N 1P019UH1 [1,1,0,0,0,0|1,0,0]=3 496 B13R1.510 C[C@@H]([C@@H](c1ccc(c(c1)O)O)O)N 1P00G3RK [1,1,0,0,0,0|1,0,0]=3 497 B13R1.525 Cc1ccc(cc1)C(C(C)(C)C)O 1P01A553 [1,1,0,0,0,0|2,0,0]=4 498 B13R1.525 OC(C(F)(F)F)c1ccc(cc1)N 1P01C0JH [1,1,0,0,0,0|2,0,0]=4 499 B13R1.525 OC(C(N)(C)C)c1ccc(cc1)Br 1P01A6VZ [1,1,0,0,0,0|1,0,0]=3 500 B13R1.525 OC(C(O)(C)C)c1ccc(cc1)Br 1P00UL6M [1,1,0,0,0,0|2,0,0]=4 501 B13R1.706 COC(c1ccc(cc1)Br)C(N)C 1P01A4SQ [1,1,0,0,0,0|1,0,0]=3 502 B13R1.706 COC(c1ccc(cc1)Cl)C(N)C 1P01AJL8 [1,1,0,0,0,0|1,0,0]=3 503 B13R1.706 COC(c1ccc(cc1)F)C(N)C 1P01A4IS [1,1,0,0,0,0|1,0,0]=3 504 B13R1.22 CCC(C(c1cccc(c1)Br)C)N 1P01DVTP [1,1,0,0,0,0|2,0,0]=4 505 B13R1.47 CCCC(C(c1ccccc1)O)N 1P01BGVD [1,1,0,0,0,0|1,0,0]=3 506 B13R1.47 CCNC(C(c1ccccc1)O)C 1P01ALKS [1,1,0,0,0,0|2,0,0]=4 507 B13R1.86 NCC(C(c1ccccc1)C)CO 1P01BHLZ [1,1,0,0,0,0|1,0,0]=3 508 B13R1.152 CC(C(C(=O)O)N)c1ccccc1 1P0033JS [1,1,0,0,0,0|1,0,1]=4 509 B13R1.152 CC([C@@H](C(=O)O)N)c1ccccc1 1P006XQ1 [1,1,0,0,0,0|1,0,1]=4 510 B13R1.152 C[C@H]([C@H](C(=O)O)N)c1ccccc1 1P01FCTL [1,1,0,0,0,0|1,0,1]=4 511 B13R1.152 OC(=O)C(C(c1cccnc1)O)N 1P01ELVE [1,1,0,0,0,0|1,0,1]=4 512 B13R1.152 OC(C(C(=O)O)N)c1ccccc1 1P00VVQW [1,1,0,0,0,0|0,0,1]=3 513 B13R1.152 OC(C(C(=O)O)N)c1ccncc1 1P01BY3C [1,1,0,0,0,0|1,0,1]=4 514 B13R1.152 OC([C@@H](C(=O)O)N)c1ccccc1 1P002JMK [1,1,0,0,0,0|0,0,1]=3 515 B13R1.152 OC(c1ccccc1)C(C(C)C)N 1P01BGHU [1,1,0,0,0,0|1,0,0]=3 516 B13R1.152 OC(c1ccccc1)C(C(N)C)N 1P01BRYI [1,1,0,0,0,0|1,0,0]=3 517 B13R1.152 O[C@@H]([C@@H](C(=O)O)N)c1ccccc1 1P019E16 [1,1,0,0,0,0|0,0,1]=3 518 B13R1.152 O[C@H](c1ccccc1)[C@H](C(C)C)N 1P002ISC [1,1,0,0,0,0|1,0,0]=3 519 B13R1.263 BrCC(C(c1ccccc1)O)(F)F 1P028WY2 [1,1,0,0,0,0|2,0,0]=4 520 B13R1.263 NCC(C(c1ccccc1)O)(F)F 1P0287ZV [1,1,0,0,0,0|2,0,0]=4 521 B13R1.263 OCC(C(c1ccccc1)N)(C)C 1P00B9IK [1,1,0,0,0,0|2,0,0]=4 522 B13R1.532 COC(C(=NO)N)c1ccccc1 1P01DVFW [1,1,0,0,0,0|1,0,1]=4 523 B13R1.696 CCC(C(c1ccccc1F)O)N 1P019T3A [1,1,0,0,0,0|1,0,0]=3 524 B13R1.708 CCC(C(c1ccccc1)(C)C)N 1P01AL2K [1,1,0,0,0,0|2,0,0]=4 525 B13R1.708 OC[C@H](C(c1ccccc1)(F)F)N 1P028C4Y [1,1,0,0,0,0|1,0,0]=3 526 B13R1.5 OCC(Cc1ccc(cc1)OC)N 1P0021TZ [1,1,0,0,0,0|1,0,0]=3 527 B13R1.5 OC[C@H](Cc1ccc(cc1)OC)N 1P00BJSO [1,1,0,0,0,0|1,0,0]=3 528 B13R1.19 CCCC(Cc1ccc(cc1)F)N 1P01WALI [1,1,0,0,0,0|2,0,0]=4 529 B13R1.133 FC(C(=O)O)Cc1ccc(cc1)N 1P028QEM [1,1,0,0,0,0|1,0,1]=4 530 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)Br 1P0034F7 [1,1,0,0,0,0|1,0,1]=4 531 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)C 1P00D8PJ [1,1,0,0,0,0|1,0,1]=4 532 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)C 1P01B1Q1 [1,1,0,0,0,0|1,0,1]=4 533 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)Cl 1P00359C [1,1,0,0,0,0|1,0,1]=4 534 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)Cl 1P00I51D [1,1,0,0,0,0|1,0,1]=4 535 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)F 1P0035XD [1,1,0,0,0,0|1,0,1]=4 536 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)F 1P01A2XR [1,1,0,0,0,0|1,0,1]=4 537 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)I 1P00I54Q [1,1,0,0,0,0|1,0,1]=4 538 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)N 1P00III7 [1,1,0,0,0,0|0,0,1]=3 539 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)S 1P01EJ9X [1,1,0,0,0,0|1,0,1]=4 540 B13R1.133 NC(C(C)C)Cc1ccc(cc1)Cl 1P01AAN0 [1,1,0,0,0,0|2,0,0]=4 541 B13R1.133 NC(C(C)C)Cc1ccc(cc1)F 1P019TEB [1,1,0,0,0,0|2,0,0]=4 542 B13R1.133 N[C@@H](C(=O)O)Cc1ccc(cc1)Br 1P0034F4 [1,1,0,0,0,0|1,0,1]=4 543 B13R1.133 N[C@@H](C(=O)O)Cc1ccc(cc1)C 1P003M8L [1,1,0,0,0,0|1,0,1]=4 544 B13R1.133 N[C@@H](C(=O)O)Cc1ccc(cc1)Cl 1P001DH3 [1,1,0,0,0,0|1,0,1]=4 545 B13R1.133 N[C@@H](C(=O)O)Cc1ccc(cc1)Cl 1P001F1I [1,1,0,0,0,0|1,0,1]=4 546 B13R1.133 N[C@@H](C(=O)O)Cc1ccc(cc1)F 1P000K0T [1,1,0,0,0,0|1,0,1]=4 547 B13R1.133 N[C@@H](C(=O)O)Cc1ccc(cc1)F 1P00238Q [1,1,0,0,0,0|1,0,1]=4 548 B13R1.133 N[C@@H](C(=O)O)Cc1ccc(cc1)I 1P003U93 [1,1,0,0,0,0|1,0,1]=4 549 B13R1.133 N[C@@H](C(=O)O)Cc1ccc(cc1)N 1P0007JX [1,1,0,0,0,0|0,0,1]=3 550 B13R1.133 N[C@H](C(=O)O)Cc1ccc(cc1)Br 1P001DH1 [1,1,0,0,0,0|1,0,1]=4 551 B13R1.133 N[C@H](C(=O)O)Cc1ccc(cc1)C 1P002CCZ [1,1,0,0,0,0|1,0,1]=4 552 B13R1.133 N[C@H](C(=O)O)Cc1ccc(cc1)Cl 1P001HEQ [1,1,0,0,0,0|1,0,1]=4 553 B13R1.133 N[C@H](C(=O)O)Cc1ccc(cc1)F 1P00EBUW [1,1,0,0,0,0|1,0,1]=4 554 B13R1.133 N[C@H](C(=O)O)Cc1ccc(cc1)F 1P00HD54 [1,1,0,0,0,0|1,0,1]=4 555 B13R1.133 N[C@H](C(=O)O)Cc1ccc(cc1)I 1P001HEO [1,1,0,0,0,0|1,0,1]=4 556 B13R1.133 N[C@H](C(=O)O)Cc1ccc(cc1)N 1P002Y8E [1,1,0,0,0,0|0,0,1]=3 557 B13R1.133 N[C@H](C(=O)O)Cc1ccc(cc1)N 1P00EB8K [1,1,0,0,0,0|0,0,1]=3 558 B13R1.133 N[C@H](C(=O)O)Cc1ccc(cc1)N 1P01L05Y [1,1,0,0,0,0|0,0,1]=3 559 B13R1.133 OC(=O)C(Cc1ccc(cc1)O)N 1P003QBE [1,1,0,0,0,0|1,0,1]=4 560 B13R1.133 OC(=O)[C@@H](Cc1ccc(cc1)O)N 1P00383R [1,1,0,0,0,0|1,0,1]=4 561 B13R1.133 OC(=O)[C@H](Cc1ccc(cc1)O)N 1P001YPS [1,1,0,0,0,0|1,0,1]=4 562 B13R1.133 OC(=O)[C@H](Cc1ccc(cc1)O)N 1P00F3FF [1,1,0,0,0,0|1,0,1]=4 563 B13R1.133 O[13C](=O)[13C@H]([13CH2][13c]1[13cH][13cH][13c]([13cH][13cH]1)O)[15NH2] 1P00C25T [1,1,0,0,0,0|1,0,1]=4 564 B13R1.133 O[C@H](C(=O)O)Cc1ccc(cc1)N 1P006KFC [1,1,0,0,0,0|1,0,1]=4 565 B13R1.133 Oc1ccc(cc1)C[C@@H](C(=O)O)N 1P005XIK [1,1,0,0,0,0|1,0,1]=4 566 B13R1.133 Oc1ccc(cc1)C[C@@H](C(=O)O)N 1P00APCO [1,1,0,0,0,0|1,0,1]=4 567 B13R1.145 CCC(Cc1ccc(cc1)C)NC 1P019SK9 [1,1,0,0,0,0|2,0,0]=4 568 B13R1.145 CNC(Cc1ccc(cc1)C)CF 1P028G31 [1,1,0,0,0,0|2,0,0]=4 569 B13R1.145 NCC(Cc1ccc(cc1)Br)CO 1P01BELL [1,1,0,0,0,0|1,0,0]=3 570 B13R1.145 NCC(Cc1ccc(cc1)C)CO 1P01BDBR [1,1,0,0,0,0|1,0,0]=3 571 B13R1.145 NCC(Cc1ccc(cc1)Cl)CO 1P019N8K [1,1,0,0,0,0|1,0,0]=3 572 B13R1.145 NCC(Cc1ccc(cc1)Cl)CO 1P019TZE [1,1,0,0,0,0|1,0,0]=3 573 B13R1.145 NCC(Cc1ccc(cc1)F)CO 1P019N8M [1,1,0,0,0,0|1,0,0]=3 574 B13R1.145 NCC(Cc1ccc(cc1)F)CO 1P019SUU [1,1,0,0,0,0|1,0,0]=3 575 B13R1.145 OCC(Cc1ccc(cc1)Br)C#N 1P01A5EA [1,1,0,0,0,0|1,0,1]=4 576 B13R1.145 OCC(Cc1ccc(cc1)F)C#N 1P019YD4 [1,1,0,0,0,0|1,0,1]=4 577 B13R1.145 OCC(Nc1ccc(cc1)N)CO 1P0280JX [1,1,0,0,0,0|2,0,0]=4 578 B13R1.249 OCC(Cc1ccc(cc1)Br)(N)C 1P01BS3V [1,1,0,0,0,0|1,0,0]=3 579 B13R1.249 OCC(Cc1ccc(cc1)C)(N)C 1P0283GY [1,1,0,0,0,0|1,0,0]=3 580 B13R1.249 OCC(Cc1ccc(cc1)Cl)(N)C 1P01BSHO [1,1,0,0,0,0|1,0,0]=3 581 B13R1.249 OCC(Cc1ccc(cc1)F)(N)C 1P01BS3X [1,1,0,0,0,0|1,0,0]=3 582 B13R1.2679 CCC(Cc1ccc(cc1Cl)Cl)N 1P0002FD [1,1,0,0,0,0|2,0,0]=4 583 B13R1.2679 OCC(Cc1ccc(cc1C)C)N 1P027UUB [1,1,0,0,0,0|1,0,0]=3 584 B13R1.2679 OCC(Cc1ccc(cc1Cl)Br)N 1P0293R2 [1,1,0,0,0,0|1,0,0]=3 585 B13R1.2879 OCC(Cc1ccc(c(c1)C)C)N 1P01C2SW [1,1,0,0,0,0|1,0,0]=3 586 B13R1.2879 OCC(Cc1ccc(c(c1)F)F)N 1P00BIFS [1,1,0,0,0,0|1,0,0]=3 587 B13R1.2879 OC[C@H](Cc1ccc(c(c1)Cl)Cl)N 1P00C7G0 [1,1,0,0,0,0|1,0,0]=3 588 B15R1.6 COc1ccc(cc1)C(C(C(=O)O)N)O 1P00DNGH [0,2,0,0,0,0|1,0,1]=4 589 B15R1.1333 OCC(C(c1ccc(cc1)[N+](=O)[O-])O)N 1P000PGP [0,2,0,0,0,0|0,0,1]=3 590 B15R1.1333 OCC(C(c1ccc(cc1)[N+](=O)[O-])O)O 1P003DHK [0,2,0,0,0,0|1,0,1]=4 591 B15R1.1333 OC[C@@H]([C@H](c1ccc(cc1)[N+](=O)[O-])O)N 1P003BZS [0,2,0,0,0,0|0,0,1]=3 592 B15R1.1333 OC[C@H]([C@@H](c1ccc(cc1)N(=O)=O)O)N 1P005R8M [0,2,0,0,0,0|0,0,1]=3 593 B15R1.890 OC(=O)C(C(c1ccc(c(c1)F)Cl)O)N 1P01ELWD [0,2,0,0,0,0|1,0,1]=4 594 B15R1.890 OC(=O)[C@H]([C@@H](c1ccc(c(c1)O)O)O)N 1P002OIT [0,2,0,0,0,0|1,0,1]=4 595 B13R2.12 Brc1ccc(cc1)C2CCCO2 1P00I3JB [1,0,0,1,0,0|2,0,0]=4 596 B13R2.12 Cc1ccc(cc1)C2CCON2 1P028IPP [1,0,0,1,0,0|2,0,0]=4 597 B13R2.12 Nc1ccc(cc1)C2CCCC2 1P00BJYL [1,0,0,1,0,0|2,0,0]=4 598 B13R2.12 Nc1ccc(cc1)C2CCCC2 1P0288VQ [1,0,0,1,0,0|2,0,0]=4 599 B13R2.12 Nc1ccc(cc1)C2CCCO2 1P0285U8 [1,0,0,1,0,0|1,0,0]=3 600 B13R2.12 Nc1ccc(cc1)C2COCC2 1P01AMPU [1,0,0,1,0,0|1,0,0]=3 601 B13R2.12 Oc1ccc(cc1)C2COCC2 1P01BDWY [1,0,0,1,0,0|2,0,0]=4 602 B13R2.42 OCC1CC1c2ccc(cc2)Cl 1P01R6AX [1,0,0,1,0,0|2,0,0]=4 603 B13R2.42 OC[C@@H]1C[C@H]1c2ccc(cc2)Cl 1P01XAD4 [1,0,0,1,0,0|2,0,0]=4 604 B13R2.42 OC[C@@H]1C[C@H]1c2ccc(cc2)F 1P01B6R2 [1,0,0,1,0,0|2,0,0]=4 605 B13R2.42 OC[C@H]1C[C@@H]1c2ccc(cc2)Cl 1P01XA5E [1,0,0,1,0,0|2,0,0]=4 606 B13R2.147 OC1CC(C1)c2ccc(cc2)Br 1P000J4J [1,0,0,1,0,0|2,0,0]=4 607 B13R2.147 OC1CC(C1)c2ccc(cc2)F 1P01AA9C [1,0,0,1,0,0|2,0,0]=4 608 B13R2.147 OC1CN(C1)c2ccc(cc2)N 1P00CQOJ [1,0,0,1,0,0|2,0,0]=4 609 B13R2.147 O[C@@H]1C[C@@H](C1)c2ccc(cc2)Br 1P01BCDD [1,0,0,1,0,0|2,0,0]=4 610 B13R2.147 O[C@@H]1C[C@H](C1)c2ccc(cc2)Br 1P01BG9P [1,0,0,1,0,0|2,0,0]=4 611 B13R2.520 OC(c1ccc(cc1)Br)C2CC2 1P00FB29 [1,0,0,1,0,0|2,0,0]=4 612 B13R2.520 O[C@H](c1ccc(cc1)Br)C2CC2 1P0292V3 [1,0,0,1,0,0|2,0,0]=4 613 B13R2.2986 CC1(CCO1)c2ccc(cc2)Br 1P01DXSE [1,0,0,1,0,0|2,0,0]=4 614 B13R2.2986 OC1(CCC1)c2ccc(cc2)Br 1P002CKH [1,0,0,1,0,0|2,0,0]=4 615 B13R2.2986 OC1(CCC1)c2ccc(cc2)F 1P01B2NW [1,0,0,1,0,0|2,0,0]=4 616 B13R2.2986 OC1(COC1)c2ccc(cc2)N 1P01BBPK [1,0,0,1,0,0|2,0,0]=4 617 B13R2.5179 Brc1ccc2c(c1)OCCC2N 1P008XVJ [1,0,0,1,0,0|2,0,0]=4 618 B13R2.5179 Brc1ccc2c(c1)OCCC2N 1P01XF9I [1,0,0,1,0,0|2,0,0]=4 619 B13R2.5179 Brc1ccc2c(c1)OCCC2O 1P00I1WD [1,0,0,1,0,0|1,0,0]=3 620 B13R2.5179 Brc1ccc2c(c1)OCC[C@@H]2N 1P024G07 [1,0,0,1,0,0|2,0,0]=4 621 B13R2.5179 Brc1ccc2c(c1)OCC[C@H]2N 1P00232J [1,0,0,1,0,0|2,0,0]=4 622 B13R2.5179 Cc1ccc2c(c1)OCC[C@@H]2N 1P009GNA [1,0,0,1,0,0|2,0,0]=4 623 B13R2.5179 Cc1ccc2c(c1)OCC[C@@H]2N 1P01FQ82 [1,0,0,1,0,0|2,0,0]=4 624 B13R2.5179 Clc1ccc2c(c1)OCCC2N 1P00GAOL [1,0,0,1,0,0|2,0,0]=4 625 B13R2.5179 Clc1ccc2c(c1)OCCC2N 1P01BAT0 [1,0,0,1,0,0|2,0,0]=4 626 B13R2.5179 Clc1ccc2c(c1)OCCC2O 1P018SJP [1,0,0,1,0,0|1,0,0]=3 627 B13R2.5179 Clc1ccc2c(c1)OCC[C@@H]2N 1P01JV5N [1,0,0,1,0,0|2,0,0]=4 628 B13R2.5179 Clc1ccc2c(c1)OCC[C@H]2N 1P01JV5O [1,0,0,1,0,0|2,0,0]=4 629 B13R2.5179 Fc1ccc2c(c1)CCCC2O 1P019SRX [1,0,0,1,0,0|2,0,0]=4 630 B13R2.5179 Fc1ccc2c(c1)OCCC2N 1P002FTF [1,0,0,1,0,0|2,0,0]=4 631 B13R2.5179 Fc1ccc2c(c1)OCC[C@@H]2N 1P0006BJ [1,0,0,1,0,0|2,0,0]=4 632 B13R2.5179 Fc1ccc2c(c1)OCC[C@@H]2N 1P01ACV9 [1,0,0,1,0,0|2,0,0]=4 633 B13R2.5179 Fc1ccc2c(c1)OCC[C@@H]2O 1P01ACPM [1,0,0,1,0,0|1,0,0]=3 634 B13R2.5179 Fc1ccc2c(c1)OCC[C@H]2N 1P00818D [1,0,0,1,0,0|2,0,0]=4 635 B13R2.5179 Fc1ccc2c(c1)OCC[C@H]2O 1P01AC4K [1,0,0,1,0,0|1,0,0]=3 636 B13R2.5179 Nc1ccc2c(c1)CCCC2O 1P01B22N [1,0,0,1,0,0|1,0,0]=3 637 B13R2.5179 Nc1ccc2c(c1)OCCC2=O 1P0096BV [1,0,0,1,0,0|0,0,2]=4 638 B13R2.5179 Nc1ccc2c(c1)OCCN2C 1P00I4SK [1,0,0,1,0,0|2,0,0]=4 639 B13R2.5179 Nc1ccc2c(c1)OCCN2C 1P01BGM6 [1,0,0,1,0,0|2,0,0]=4 640 B13R2.5179 Nc1ccc2c(c1)OCCN2C 1P028S9H [1,0,0,1,0,0|2,0,0]=4 641 B13R2.5187 Brc1ccc2c(c1)C(O)CC2N 1P02818E [1,0,0,1,0,0|2,0,0]=4 642 B13R2.15 NC1CCCC1c2ccccc2 1P00DIJB [1,0,0,1,0,0|2,0,0]=4 643 B13R2.15 NC1CCCC1c2ccccc2 1P00FHC3 [1,0,0,1,0,0|2,0,0]=4 644 B13R2.15 N[C@@H]1CCC[C@@H]1c2ccccc2 1P01C0RM [1,0,0,1,0,0|2,0,0]=4 645 B13R2.15 N[C@@H]1CCO[C@H]1c2ccccc2 1P01BZ2R [1,0,0,1,0,0|1,0,0]=3 646 B13R2.15 N[C@@H]1CNC[C@H]1c2ccccc2 1P028DIT [1,0,0,1,0,0|2,0,0]=4 647 B13R2.15 N[C@H]1CCC[C@H]1c2ccccc2 1P00748U [1,0,0,1,0,0|2,0,0]=4 648 B13R2.15 N[C@H]1CCC[C@H]1c2ccccc2 1P028LSU [1,0,0,1,0,0|2,0,0]=4 649 B13R2.15 OC1COCC1c2ccccc2 1P01DL7W [1,0,0,1,0,0|2,0,0]=4 650 B13R2.15 O[C@@H]1COC[C@@H]1c2ccccc2 1P027UDY [1,0,0,1,0,0|2,0,0]=4 651 B13R2.15 O[C@@H]1COC[C@H]1c2ccccc2 1P0289P9 [1,0,0,1,0,0|2,0,0]=4 652 B13R2.32 Br[C@@H]1CCc2c([C@@H]1O)cccc2 1P00BYNI [1,0,0,1,0,0|2,0,0]=4 653 B13R2.32 Br[C@H]1COc2c([C@@H]1O)cccc2 1P01BGHM [1,0,0,1,0,0|1,0,0]=3 654 B13R2.32 CC1COc2c(C1N)cccc2 1P01A6N4 [1,0,0,1,0,0|2,0,0]=4 655 B13R2.32 CC1COc2c(C1O)cccc2 1P01A6EY [1,0,0,1,0,0|1,0,0]=3 656 B13R2.32 FC1CCc2c(C1O)cccc2 1P01BIUC [1,0,0,1,0,0|2,0,0]=4 657 B13R2.32 NC1COc2c(C1=O)cccc2 1P01A3G1 [1,0,0,1,0,0|0,0,2]=4 658 B13R2.32 NC1COc2c(C1O)cccc2 1P01BCBW [1,0,0,1,0,0|0,0,0]=2 659 B13R2.32 NC1COc2c(C1O)cccc2 1P01BCBX [1,0,0,1,0,0|0,0,0]=2 660 B13R2.32 N[C@@H]1COc2c([C@H]1O)cccc2 1P02892F [1,0,0,1,0,0|0,0,0]=2 661 B13R2.32 O[C@H]1COc2c([C@@H]1N)cccc2 1P01EN28 [1,0,0,1,0,0|2,0,0]=4 662 B13R2.45 OC[C@@H]1Cc2c([C@@H]1N)cccc2 1P00DAIJ [1,0,0,1,0,0|2,0,0]=4 663 B13R2.45 OC[C@@H]1Oc2c([C@@H]1C)cccc2 1P0290YU [1,0,0,1,0,0|2,0,0]=4 664 B13R2.56 OCC1CCC1c2ccccc2 1P028HTF [1,0,0,1,0,0|2,0,0]=4 665 B13R2.56 OC[C@@H]1NC[C@H]1c2ccccc2 1P0293CC [1,0,0,1,0,0|1,0,0]=3 666 B13R2.413 NC1CCC1(C)c2ccccc2 1P02833N [1,0,0,1,0,0|2,0,0]=4 667 B13R2.8137 NC(c1ccccc1)C2COC2 1P01WUU6 [1,0,0,1,0,0|2,0,0]=4 668 B13R2.8137 N[C@@H](c1ccccc1)C2COC2 1P01XA9H [1,0,0,1,0,0|2,0,0]=4 669 B13R2.8137 N[C@H](c1ccccc1)C2COC2 1P01Z9OK [1,0,0,1,0,0|2,0,0]=4 670 B13R2.8137 OC(c1ccccc1)C2CNC2 1P027NBU [1,0,0,1,0,0|2,0,0]=4 671 B13R2.8138 CC(C1(N)CC1)c2ccccc2 1P028JZI [1,0,0,1,0,0|2,0,0]=4 672 B13R2.8138 OC(C1(N)CC1)c2ccccc2 1P00FJYP [1,0,0,1,0,0|1,0,0]=3 673 B13R2.43 OCc1nc2c([nH]1)cc(cc2)N 1P002YXZ [1,0,0,1,0,0|1,0,1]=4 674 B13R2.148 NC1(CC1)Cc2ccc(cc2)Br 1P01A6T1 [1,0,0,1,0,0|2,0,0]=4 675 B13R2.148 NC1(CC1)Cc2ccc(cc2)C 1P00C2KT [1,0,0,1,0,0|2,0,0]=4 676 B13R2.148 NC1(CC1)Cc2ccc(cc2)Cl 1P00C2JH [1,0,0,1,0,0|2,0,0]=4 677 B13R2.148 NC1(CC1)Cc2ccc(cc2)Cl 1P00J2K8 [1,0,0,1,0,0|2,0,0]=4 678 B13R2.148 NC1(CC1)Cc2ccc(cc2)F 1P01C1SX [1,0,0,1,0,0|2,0,0]=4 679 B13R2.1069 Brc1ccc(cc1)CC2COC2 1P016PT9 [1,0,0,1,0,0|2,0,0]=4 680 B13R2.1069 Nc1ccc(cc1)NC2COC2 1P0281UF [1,0,0,1,0,0|2,0,0]=4 681 B13R2.1069 Nc1ccc(cc1)OC2COC2 1P00HU9W [1,0,0,1,0,0|2,0,0]=4 682 B13R2.3028 C[C@H]1Cc2c([C@H]1O)cc(cc2)C 1P01B75K [1,0,0,1,0,0|2,0,0]=4 683 B13R2.3683 CC1CCc2c(C1)ccc(c2)N 1P028UEV [1,0,0,1,0,0|2,0,0]=4 684 B13R2.3683 NC1CCc2c(C1)ccc(c2)Br 1P0014ZH [1,0,0,1,0,0|2,0,0]=4 685 B13R2.3683 NC1CCc2c(C1)ccc(c2)Br 1P001XSN [1,0,0,1,0,0|2,0,0]=4 686 B13R2.3683 NC1CCc2c(C1)ccc(c2)C 1P028C9F [1,0,0,1,0,0|2,0,0]=4 687 B13R2.3683 NC1CCc2c(C1)ccc(c2)Cl 1P006TKS [1,0,0,1,0,0|2,0,0]=4 688 B13R2.3683 NC1CCc2c(C1)ccc(c2)N 1P01BBYF [1,0,0,1,0,0|1,0,0]=3 689 B13R2.3683 NC1CCc2c(C1)ccc(c2)O 1P01A6YL [1,0,0,1,0,0|2,0,0]=4 690 B13R2.3683 NC1COc2c(C1)ccc(c2)Cl 1P01B5QY [1,0,0,1,0,0|1,0,0]=3 691 B13R2.3683 NC1COc2c(C1)ccc(c2)Cl 1P024I49 [1,0,0,1,0,0|1,0,0]=3 692 B13R2.3683 NC1COc2c(C1)ccc(c2)F 1P01AN8Z [1,0,0,1,0,0|1,0,0]=3 693 B13R2.3683 NC1COc2c(C1)ccc(c2)O 1P028AOZ [1,0,0,1,0,0|1,0,0]=3 694 B15R2.28 NC1CCOC(C1)c2ccc(cc2)F 1P01A7EF [0,0,0,1,0,1|2,0,0]=4 695 B15R2.1510 N[C@@H]1COC[C@@H]1Oc2ccc(cc2)Br 1P01JUOQ [0,0,0,1,0,1|2,0,0]=4 696 B15R2.1510 N[C@H]1COC[C@H]1Oc2ccc(cc2)Br 1P000PDJ [0,0,0,1,0,1|2,0,0]=4 697 B15R2.308 N[C@@H]1CCCO[C@H]1c2ccc(cc2)Cl 1P01BSOX [0,1,0,1,0,0|2,0,0]=4 698 B15R2.22 OC[C@@H]1CNC[C@H]1c2ccc(cc2)Cl 1P01BCTW [0,1,0,1,0,0|2,0,0]=4 699 B15R2.4986 NCC1(CO)CC1c2ccc(cc2)F 1P01BEDY [0,1,0,1,0,0|2,0,0]=4 700 B15R2.520 N[C@@H]1CCO[C@H]1c2ccc(c(c2)F)F 1P028XOM [0,1,0,1,0,0|2,0,0]=4 701 B13R1.11 OCC(CC(c1ccccc1)O)N 1P01A2RK [1,0,0,0,0,1|0,0,0]=2 702 B13R1.14 OCC(COc1ccc(cc1)Br)O 1P00EM3Q [1,0,0,0,0,1|2,0,0]=4 703 B13R1.14 OCC(COc1ccc(cc1)Cl)O 1P007IMB [1,0,0,0,0,1|2,0,0]=4