0 B11R1.91 CC(=O)C#CC1=CC=CC=C1 F21355 [0,0,0,0,0,0|0,0,4]=4 1 B11R1.91 CC(C)CCC1=NC=CN=C1 A12502 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Y11691 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.91 NC(=O)CCC1=CC=NC=C1 AC6902 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.91 NC(=O)CCC1=CN=CC=C1 AC6901 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.91 NC(=O)COC1=CC=CC=C1 N16863 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.91 O=C(O)CCC1=CN=CN=C1 72064 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.91 O=C(O)CCC1=CN=NC=C1 P17753 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.91 O=C(O)CNC1=CC=NC=C1 CS1833 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.91 O=C(O)COC1=CC=NC=C1 C75738 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.91 O=C(O)COC1=NC=CC=C1 SC3951 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [0,0,0,0,0,0|1,0,2]=3 12 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 35117 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 D70623 [0,0,0,0,0,0|2,0,2]=4 14 B10R1.17 CCCCC1=CC=NC=C1 BL000376 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.17 CCCOC1=CC=CC=C1 C75927 [1,0,0,0,0,0|1,0,0]=2 16 B10R1.17 CCNCC1=CC=CC=C1 D77748 [1,0,0,0,0,0|1,0,0]=2 17 B10R1.17 CNCCC1=CC=CN=C1 AR1271 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.17 CNNCC1=CC=CC=C1 30192 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.17 CNNCC1=CC=CN=C1 30189 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [1,0,0,0,0,0|1,0,0]=2 21 B10R1.17 N#CCCC1=CC=NC=C1 P16939 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.17 NCC#CC1=CC=CC=C1 AB10164 [1,0,0,0,0,0|1,0,2]=4 23 B10R1.17 NCCCC1=CC=CN=C1 31799 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.17 NCCCC1=CC=NC=C1 S12068 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.17 NCCOC1=CC=NC=C1 F31099 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.17 NCCOC1=CC=NC=C1 Y10522 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.17 OCC#CC1=CC=NC=C1 31862 [1,0,0,0,0,0|1,0,2]=4 28 B10R1.17 OCCOC1=CN=CC=C1 D86242 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.17 OC\C=C\C1=NC=CC=C1 AC7737 [1,0,0,0,0,0|1,0,2]=4 30 B10R1.17 SCCCC1=CC=NC=C1 F18251 [1,0,0,0,0,0|1,1,0]=3 31 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [1,0,0,0,0,0|1,0,1]=3 32 B12R1.21 CC(=O)CCC1=CC=C(F)C=C1 D71139 [0,1,0,0,0,0|0,0,2]=3 33 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 20599 [0,1,0,0,0,0|1,0,2]=4 34 B12R1.21 CC(C)OCC1=CC=C(Br)C=C1 N10192 [0,1,0,0,0,0|2,0,0]=3 35 B12R1.21 CC1=CC=C(OC[C@H](C)N)C=C1 F50498 [0,1,0,0,0,0|2,0,0]=3 36 B12R1.21 CC1=CN=C(CCC(=O)O)C=C1 72577 [0,1,0,0,0,0|2,0,1]=4 37 B12R1.21 CC1=NC=C(CCC(=O)O)C=C1 72581 [0,1,0,0,0,0|2,0,1]=4 38 B12R1.21 NC1=NC=C(CCC(=O)O)C=C1 75631 [0,1,0,0,0,0|2,0,1]=4 39 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 T72748 [0,1,0,0,0,0|1,0,1]=3 40 B12R1.21 O=C(O)CCC1=CN=C(Br)C=C1 F30869 [0,1,0,0,0,0|2,0,1]=4 41 B12R1.27 CCC(=O)NCC1=CC=CC=C1 Y13566 [0,1,0,0,0,0|1,0,2]=4 42 B12R1.27 COC(=O)CCC1=NC=CC=C1 AC5808 [0,1,0,0,0,0|1,0,2]=4 43 B12R1.27 COC(=O)NCC1=CC=CC=C1 C75727 [0,1,0,0,0,0|1,0,2]=4 44 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 Y10083 [0,1,0,0,0,0|1,0,0]=2 45 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 A11325 [0,1,0,0,0,0|0,0,2]=3 46 B12R1.27 O[C@H](CCl)COC1=CC=CC=C1 N13287 [0,1,0,0,0,0|1,0,0]=2 47 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 Y10616 [0,1,0,0,0,0|0,0,2]=3 48 B12R1.43 C[C@@H](CC1=NC=CC=C1)C(=O)O F14472 [0,1,0,0,0,0|2,0,1]=4 49 B12R1.43 C[C@H](N)C(=O)CC1=CC=CC=C1 D80885 [0,1,0,0,0,0|1,0,1]=3 50 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O D82882 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O C73515 [0,1,0,0,0,0|1,0,1]=3 52 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O F16404 [0,1,0,0,0,0|2,0,1]=4 53 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 F16780 [0,1,0,0,0,0|1,0,1]=3 54 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20111 [0,1,0,0,0,0|1,0,0]=2 55 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20113 [0,1,0,0,0,0|1,0,0]=2 56 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11320 [0,1,0,0,0,0|1,0,0]=2 57 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11540 [0,1,0,0,0,0|1,0,0]=2 58 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11782 [0,1,0,0,0,0|1,0,0]=2 59 B12R1.107 CN(C)C[C@H](N)C1=CC=CC=C1 C11392 [0,1,0,0,0,0|2,0,0]=3 60 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 C74093 [0,1,0,0,0,0|2,0,1]=4 61 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC1152 [0,1,0,0,0,0|1,0,1]=3 62 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC6792 [0,1,0,0,0,0|1,0,1]=3 63 B12R1.107 C[C@@H](CC(=O)O)C1=NC=CC=C1 D93591 [0,1,0,0,0,0|2,0,1]=4 64 B12R1.107 NN(CC(=O)O)C1=CC=CC=C1 27905 [0,1,0,0,0,0|2,0,1]=4 65 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 Y11722 [0,1,0,0,0,0|2,0,1]=4 66 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 Y11797 [0,1,0,0,0,0|2,0,1]=4 67 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 Y11798 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 C76570 [0,1,0,0,0,0|1,0,2]=4 69 B12R1.125 CC1=C(CCC(=O)O)C=CC=N1 72353 [0,1,0,0,0,0|2,0,1]=4 70 B12R1.125 CC1=C(CCC(=O)O)C=CC=N1 97407 [0,1,0,0,0,0|2,0,1]=4 71 B12R1.125 CC1=C(CCC(=O)O)C=NC=C1 72576 [0,1,0,0,0,0|2,0,1]=4 72 B12R1.125 CC1=C(CNC(C)C)C=CC=C1 C78577 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.125 CC1=CC=CN=C1CCC(=O)O 72065 [0,1,0,0,0,0|2,0,1]=4 74 B12R1.125 O=C(O)CNC1=C(Cl)C=CC=C1 E70332 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.226 CC(=O)SCC1=CC=CC(I)=C1 21164 [0,1,0,0,0,0|1,0,2]=4 76 B12R1.226 CC(C)CNC1=CC=CC(Br)=C1 W16002 [0,1,0,0,0,0|2,0,0]=3 77 B12R1.226 CC(C)COC1=CC(O)=CC=C1 W16042 [0,1,0,0,0,0|2,0,0]=3 78 B12R1.226 CC1=CC(CCC(=O)O)=CN=C1 72580 [0,1,0,0,0,0|2,0,1]=4 79 B12R1.226 CC1=CC=CC(CCC(=O)O)=N1 71538 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.226 CC1=NC=CC(CCC(=O)O)=C1 72670 [0,1,0,0,0,0|2,0,1]=4 81 B12R1.226 O=C(O)CCC1=NC=CC(F)=C1 73058 [0,1,0,0,0,0|2,0,1]=4 82 B12R1.891 CC(C)(C)NSC1=CC=CC=C1 A12195 [0,1,0,0,0,0|3,0,0]=4 83 B12R1.891 F[B-](F)(F)CCC1=CC=CC=C1 29661 [0,1,0,0,0,0|3,0,0]=4 84 B12R2.22 NC1CN(C2=CC=CC=C2)C1 P16497 [0,0,0,1,0,0|2,0,0]=3 85 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 38954 [0,0,0,1,0,0|1,0,0]=2 86 B12R2.22 OC1CN(C2=CC=CC=C2)C1 P13302 [0,0,0,1,0,0|1,0,0]=2 87 B12R2.22 O[C@H]1C[C@@H](C2=CC=CC=C2)C1 91858 [0,0,0,1,0,0|0,0,0]=1 88 B12R2.22 O[C@H]1C[C@H](C2=CC=CC=C2)C1 91835 [0,0,0,1,0,0|0,0,0]=1 89 B12R2.24 CN1CCC2=C(C=CC=C2)C1 66638 [0,0,0,1,0,0|2,0,0]=3 90 B12R2.24 CN1CCC2=C(C=CC=C2)C1 O10829 [0,0,0,1,0,0|2,0,0]=3 91 B12R2.24 C[C@H]1CNC2=C(C=CC=C2)O1 71634 [0,0,0,1,0,0|1,0,0]=2 92 B12R2.24 C[C@H]1COC2=C(C=CC=C2)N1 71352 [0,0,0,1,0,0|2,0,0]=3 93 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 20328 [0,0,0,1,0,0|2,0,0]=3 94 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 D86156 [0,0,0,1,0,0|2,0,0]=3 95 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 Y11370 [0,0,0,1,0,0|2,0,0]=3 96 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69307 [0,0,0,1,0,0|1,0,0]=2 97 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69309 [0,0,0,1,0,0|1,0,0]=2 98 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 C15389 [0,0,0,1,0,0|1,0,2]=4 99 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P11165 [0,0,0,1,0,0|1,0,0]=2 100 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P12593 [0,0,0,1,0,0|1,0,0]=2 101 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P17350 [0,0,0,1,0,0|1,0,0]=2 102 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 70487 [0,0,0,1,0,0|2,0,0]=3 103 B12R2.2403 CC1(C)CNC2=C1C=NC=C2 85489 [0,0,0,1,0,0|3,0,0]=4 104 B12R2.2403 C[C@]1(O)CCC2=C1C=CC=C2 72298 [0,0,0,1,0,0|0,0,0]=1 105 B12R2.2403 O=S1(=O)CCC2=C1C=CC=C2 W16179 [0,0,0,1,0,0|2,0,1]=4 106 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [0,0,0,0,1,0|1,0,2]=4 107 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [0,0,0,0,1,0|1,0,2]=4 108 B10R1.18 C[C@H](N)CC1=NC=CC=C1 C80024 [0,0,0,0,1,0|2,0,0]=3 109 B10R1.18 FC(F)SC1=CC=CC=C1 I11988 [0,0,0,0,1,0|3,0,0]=4 110 B10R1.18 N=C(N)CC1=CC=CC=C1 F19863 [0,0,0,0,1,0|2,0,1]=4 111 B10R1.18 NC(=S)CC1=CC=CC=C1 71029 [0,0,0,0,1,0|1,1,1]=4 112 B10R1.66 O=C(O)CCC1=CC=CN1 35365 [0,0,0,0,1,0|2,0,1]=4 113 B10R1.66 O=C(O)CCC1=CC=CS1 69875 [0,0,0,0,1,0|2,0,1]=4 114 B10R1.66 O=C(O)CCC1=CNC=C1 65418 [0,0,0,0,1,0|2,0,1]=4 115 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 F52615 [0,0,0,0,0,1|1,0,2]=4 116 B12R1.252 O=C(O)CCCC1=CC=NC=C1 F15138 [0,0,0,0,0,1|2,0,1]=4 117 B12R1.252 O=C(O)CCCC1=NC=CC=C1 O11098 [0,0,0,0,0,1|2,0,1]=4 118 B9R1.8 BrCCC1=CC=NC=C1 C71689 [2,0,0,0,0,0|2,0,0]=4 119 B9R1.8 CCNC1=CC=CN=C1 C15578 [2,0,0,0,0,0|2,0,0]=4 120 B9R1.8 CNCC1=CC=NC=C1 AR1712 [2,0,0,0,0,0|2,0,0]=4 121 B9R1.8 ClCCC1=CC=NC=C1 O11064 [2,0,0,0,0,0|2,0,0]=4 122 B9R1.8 OCCC1=CN=CN=C1 27368 [2,0,0,0,0,0|2,0,0]=4 123 B9R1.8 OCCC1=NC=CC=N1 C14218 [2,0,0,0,0,0|2,0,0]=4 124 B9R1.8 O\N=C/C1=CC=CC=C1 N10040 [2,0,0,0,0,0|1,0,1]=4 125 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 C11398 [2,0,0,0,0,0|1,0,1]=4 126 B11R1.1 C=CCCC1=CC=C(Br)C=C1 VT1222 [1,1,0,0,0,0|0,0,2]=4 127 B11R1.1 C=CCCC1=CC=C(O)C=C1 AC1840 [1,1,0,0,0,0|0,0,2]=4 128 B11R1.1 CC1=NC=C(CCCN)C=C1 73040 [1,1,0,0,0,0|2,0,0]=4 129 B11R1.1 CCNCC1=CC=C(C)C=C1 78307 [1,1,0,0,0,0|1,0,0]=3 130 B11R1.1 CCNCC1=CC=C(N)C=C1 AC1810 [1,1,0,0,0,0|1,0,0]=3 131 B11R1.1 CCNCC1=CC=C(O)C=C1 31967 [1,1,0,0,0,0|1,0,0]=3 132 B11R1.1 CCNCC1=CN=C(Cl)C=C1 F11983 [1,1,0,0,0,0|2,0,0]=4 133 B11R1.1 CCOCC1=CC=C(Br)C=C1 W19177 [1,1,0,0,0,0|1,0,0]=3 134 B11R1.1 CCOCC1=CC=C(O)C=C1 27758 [1,1,0,0,0,0|1,0,0]=3 135 B11R1.1 CCOCC1=CN=C(Cl)C=C1 D73333 [1,1,0,0,0,0|2,0,0]=4 136 B11R1.1 CNCCC1=CC=C(N)C=C1 76010 [1,1,0,0,0,0|1,0,0]=3 137 B11R1.1 ClCCOC1=CC=C(Cl)C=C1 C72197 [1,1,0,0,0,0|2,0,0]=4 138 B11R1.1 FC1=CC=C(CCCBr)C=C1 AB8466 [1,1,0,0,0,0|1,0,0]=3 139 B11R1.1 FC1=CC=C(CCCI)C=C1 AC3098 [1,1,0,0,0,0|1,0,0]=3 140 B11R1.1 N#CCCC1=CC=C(Br)C=C1 O10869 [1,1,0,0,0,0|1,0,1]=4 141 B11R1.1 NCCCC1=CC=C(F)C=C1 C72058 [1,1,0,0,0,0|1,0,0]=3 142 B11R1.1 O=CCCC1=CC=C(Br)C=C1 29444 [1,1,0,0,0,0|0,0,2]=4 143 B11R1.1 O=CCCC1=CC=C(Cl)C=C1 AB6893 [1,1,0,0,0,0|0,0,2]=4 144 B11R1.1 O=CCCC1=CC=C(O)C=C1 F19751 [1,1,0,0,0,0|0,0,2]=4 145 B11R1.1 OCCNC1=NC=C(F)C=C1 W16644 [1,1,0,0,0,0|2,0,0]=4 146 B11R1.1 OCCOC1=CC=C(Br)C=C1 AC1411 [1,1,0,0,0,0|1,0,0]=3 147 B11R1.1 OC\C=C\C1=CC=C(O)C=C1 A11786 [1,1,0,0,0,0|0,0,2]=4 148 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 I11297 [1,1,0,0,0,0|0,0,2]=4 149 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y10366 [1,1,0,0,0,0|0,0,2]=4 150 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y12585 [1,1,0,0,0,0|0,0,2]=4 151 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y13293 [1,1,0,0,0,0|0,0,2]=4 152 B11R1.16 CCCC(=O)C1=CN=CC=C1 N12405 [1,1,0,0,0,0|1,0,1]=4 153 B11R1.16 CCCC(=O)C1=NC=CC=C1 55420 [1,1,0,0,0,0|1,0,1]=4 154 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y10270 [1,1,0,0,0,0|0,0,0]=2 155 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11637 [1,1,0,0,0,0|0,0,0]=2 156 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11944 [1,1,0,0,0,0|0,0,0]=2 157 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 31766 [1,1,0,0,0,0|1,0,0]=3 158 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 Y11462 [1,1,0,0,0,0|1,0,0]=3 159 B11R1.16 COC[C@H](N)C1=CC=CC=C1 N12553 [1,1,0,0,0,0|1,0,0]=3 160 B11R1.16 C[C@@H](CCN)C1=CC=CC=C1 AC6042 [1,1,0,0,0,0|1,0,0]=3 161 B11R1.16 N#CC[C@H](O)C1=CC=CC=C1 AB1470 [1,1,0,0,0,0|1,0,1]=4 162 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 65208 [1,1,0,0,0,0|0,0,0]=2 163 B11R1.16 O=C(CCO)C1=CC=CC=C1 A11168 [1,1,0,0,0,0|0,0,1]=3 164 B11R1.16 OCC[C@H](O)C1=CC=NC=C1 AC6619 [1,1,0,0,0,0|1,0,0]=3 165 B11R1.16 OCC[C@H](O)C1=NC=CC=C1 C74027 [1,1,0,0,0,0|1,0,0]=3 166 B11R1.17 C=CCCC1=C(Br)C=CC=C1 20639 [1,1,0,0,0,0|0,0,2]=4 167 B11R1.17 CC1=C(NCCO)C=CC=C1 29426 [1,1,0,0,0,0|1,0,0]=3 168 B11R1.17 CC1=C(OCCBr)C=CC=C1 71086 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.17 CCNCC1=C(O)C=CC=C1 AC1355 [1,1,0,0,0,0|1,0,0]=3 170 B11R1.17 COCCC1=C(O)C=CC=C1 D94967 [1,1,0,0,0,0|1,0,0]=3 171 B11R1.17 FC1=C(CCCBr)C=CC=C1 AB10312 [1,1,0,0,0,0|1,0,0]=3 172 B11R1.17 FC1=C(OCCBr)C=CC=C1 F50418 [1,1,0,0,0,0|2,0,0]=4 173 B11R1.17 NC1=C(CCCO)C=CC=C1 Y12219 [1,1,0,0,0,0|0,0,0]=2 174 B11R1.17 NCCCC1=C(Br)C=CC=C1 AC1659 [1,1,0,0,0,0|1,0,0]=3 175 B11R1.17 NCCCN1C=CC=CC1=O F15206 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 20776 [1,1,0,0,0,0|0,0,2]=4 177 B11R1.17 OCCCC1=C(Cl)C=CC=C1 AB3571 [1,1,0,0,0,0|0,0,0]=2 178 B11R1.17 OCCCC1=C(F)C=CC=C1 AB3823 [1,1,0,0,0,0|0,0,0]=2 179 B11R1.24 CC1=CC=CC(OCCBr)=C1 D86494 [1,1,0,0,0,0|2,0,0]=4 180 B11R1.24 CC1=CC=CC(OCCN)=C1 30931 [1,1,0,0,0,0|2,0,0]=4 181 B11R1.24 CCCCC1=CC=CC(F)=C1 36944 [1,1,0,0,0,0|0,0,0]=2 182 B11R1.24 CCCCC1=CC=CC(N)=N1 78400 [1,1,0,0,0,0|1,0,0]=3 183 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 T70177 [1,1,0,0,0,0|1,0,0]=3 184 B11R1.24 CCNCC1=CC=CC(O)=C1 31617 [1,1,0,0,0,0|1,0,0]=3 185 B11R1.24 FC1=CC=CC(OCCBr)=C1 71908 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.24 NCCCC1=CC=CC(Cl)=C1 F20098 [1,1,0,0,0,0|1,0,0]=3 187 B11R1.24 O=CCCC1=CC=CC(Br)=C1 A10169 [1,1,0,0,0,0|0,0,2]=4 188 B11R1.24 OCC#CC1=CC=CC(Cl)=C1 BL006488 [1,1,0,0,0,0|0,0,2]=4 189 B11R1.24 OCCCC1=CC=CC(Cl)=C1 AB3572 [1,1,0,0,0,0|0,0,0]=2 190 B11R1.24 OCCCC1=CC=CC(F)=C1 AB3824 [1,1,0,0,0,0|0,0,0]=2 191 B11R1.24 OCCNC1=CC=CC(Cl)=N1 F15550 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.28 BrCCSCC1=CC=CC=C1 D80856 [1,1,0,0,0,0|1,0,0]=3 193 B11R1.28 C#CCNCC1=CC=CC=C1 W16389 [1,1,0,0,0,0|0,0,2]=4 194 B11R1.28 CC#CCOC1=CC=CC=C1 W17093 [1,1,0,0,0,0|0,0,2]=4 195 B11R1.28 CCCCCC1=CC=CN=C1 O11045 [1,1,0,0,0,0|1,0,0]=3 196 B11R1.28 CCCCCC1=CC=NC=C1 T70725 [1,1,0,0,0,0|1,0,0]=3 197 B11R1.28 CCCCCC1=NC=CC=C1 D70816 [1,1,0,0,0,0|1,0,0]=3 198 B11R1.28 CNCCCC1=CC=CC=C1 AR3929 [1,1,0,0,0,0|0,0,0]=2 199 B11R1.28 ICCOCC1=CC=CC=C1 70075 [1,1,0,0,0,0|1,0,0]=3 200 B11R1.28 N#CCNCC1=CC=CC=C1 80731 [1,1,0,0,0,0|1,0,1]=4 201 B11R1.28 NCCCOC1=CC=CC=C1 76995 [1,1,0,0,0,0|1,0,0]=3 202 B11R1.28 NCCCOC1=CC=CC=C1 AB7704 [1,1,0,0,0,0|1,0,0]=3 203 B11R1.28 O=CCCCC1=CN=CC=C1 P16929 [1,1,0,0,0,0|1,0,1]=4 204 B11R1.28 OCCCCC1=NC=CC=C1 30660 [1,1,0,0,0,0|1,0,0]=3 205 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 C75175 [1,1,0,0,0,0|0,0,2]=4 206 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y10008 [1,1,0,0,0,0|0,0,2]=4 207 B11R1.40 C[C@@H](CN)OC1=CC=CC=C1 AR3791 [1,1,0,0,0,0|2,0,0]=4 208 B11R1.40 NCC(=O)CC1=CC=CC=C1 A10565 [1,1,0,0,0,0|1,0,1]=4 209 B11R1.40 N[C@H](CO)CC1=NC=CC=C1 Y13025 [1,1,0,0,0,0|1,0,0]=3 210 B11R1.40 N\C(CC1=CC=CC=C1)=N/O W18702 [1,1,0,0,0,0|1,0,1]=4 211 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Y10931 [1,1,0,0,0,0|1,0,1]=4 212 B11R1.40 O=C(CO)NC1=CC=CC=C1 C77599 [1,1,0,0,0,0|1,0,1]=4 213 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 D80460 [1,1,0,0,0,0|0,0,0]=2 214 B11R1.20 CC(C)NC1=CC=C(F)C=C1 22289 [0,1,0,0,1,0|2,0,0]=4 215 B11R1.20 CC(C)SC1=CC=C(Br)C=C1 AT20955 [0,1,0,0,1,0|2,0,0]=4 216 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N10874 [0,1,0,0,1,0|1,0,0]=3 217 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 84989 [0,1,0,0,1,0|1,0,0]=3 218 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y14838 [0,1,0,0,1,0|1,0,0]=3 219 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N11301 [0,1,0,0,1,0|1,0,0]=3 220 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N11302 [0,1,0,0,1,0|1,0,0]=3 221 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 Y11173 [0,1,0,0,1,0|1,0,0]=3 222 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 Y11623 [0,1,0,0,1,0|1,0,0]=3 223 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 84990 [0,1,0,0,1,0|1,0,0]=3 224 B11R1.20 C[C@H](O)CC1=CC=C(F)C=C1 C75202 [0,1,0,0,1,0|0,0,0]=2 225 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 52120 [0,1,0,0,1,0|1,0,1]=4 226 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N13201 [0,1,0,0,1,0|0,0,2]=4 227 B11R1.36 CC(=O)[C@H](O)C1=CC=CC=C1 AC1336 [0,1,0,0,1,0|0,0,2]=4 228 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 74050 [0,1,0,0,1,0|1,0,0]=3 229 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 F16904 [0,1,0,0,1,0|1,0,0]=3 230 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 Y11074 [0,1,0,0,1,0|1,0,0]=3 231 B11R1.36 CC(C)[C@H](N)C1=CC=CN=C1 D80774 [0,1,0,0,1,0|2,0,0]=4 232 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 N10542 [0,1,0,0,1,0|2,0,0]=4 233 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 N11120 [0,1,0,0,1,0|2,0,0]=4 234 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 Y11073 [0,1,0,0,1,0|2,0,0]=4 235 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 Y13397 [0,1,0,0,1,0|2,0,0]=4 236 B11R1.36 C[C@@H](C1=CC=CC=C1)N(C)C A12149 [0,1,0,0,1,0|2,0,0]=4 237 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N16817 [0,1,0,0,1,0|0,0,0]=2 238 B11R1.36 C[C@H](F)C(=O)C1=CC=CC=C1 C10603 [0,1,0,0,1,0|1,0,1]=4 239 B11R1.86 CC(C)OC1=C(O)C=CC=C1 D71146 [0,1,0,0,1,0|2,0,0]=4 240 B11R1.86 C[C@H](N)CC1=C(F)C=CC=C1 N10828 [0,1,0,0,1,0|1,0,0]=3 241 B11R1.86 C[C@H](O)CC1=C(Cl)C=CC=C1 D84375 [0,1,0,0,1,0|0,0,0]=2 242 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 C72557 [0,1,0,0,1,0|1,0,0]=3 243 B11R1.157 CC(C)OC1=CC(O)=CC=C1 C13518 [0,1,0,0,1,0|2,0,0]=4 244 B11R1.157 CN(C)CC1=CC=CC(O)=C1 C75839 [0,1,0,0,1,0|2,0,0]=4 245 B11R1.157 C[C@H](N)CC1=CC=CC(Br)=C1 N10830 [0,1,0,0,1,0|1,0,0]=3 246 B11R1.157 C[C@H](N)CC1=CC=CC(Br)=C1 Y11543 [0,1,0,0,1,0|1,0,0]=3 247 B11R1.157 C[C@H](O)CC1=CC=CC(Cl)=C1 W16410 [0,1,0,0,1,0|0,0,0]=2 248 B11R1.157 C[C@H](O)CC1=NC=CC(Br)=C1 AC4439 [0,1,0,0,1,0|1,0,0]=3 249 B11R1.509 C[S@](=N)(=O)CC1=CC=CC=C1 W18265 [0,1,0,0,1,0|1,0,1]=4 250 B13R1.45 CC(C)CCC(=O)C1=CC=CC=C1 Y11605 [0,1,0,0,0,1|1,0,0]=3 251 B13R1.45 C[C@H](O)COC(=O)C1=CC=CC=C1 D93462 [0,1,0,0,0,1|0,0,1]=3 252 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 E72702 [0,1,0,0,0,1|1,0,1]=4 253 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 E72703 [0,1,0,0,0,1|1,0,1]=4 254 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 Y10513 [0,1,0,0,0,1|1,0,1]=4 255 B13R1.149 CC(=O)NCCC1=CC(O)=CC=C1 F19957 [0,1,0,0,0,1|0,0,2]=4 256 B13R1.149 CC1=CC=CC(OCCC(=O)O)=C1 AC1695 [0,1,0,0,0,1|1,0,1]=4 257 B13R1.149 CN(C)CCOC1=CC=CC(Br)=C1 29755 [0,1,0,0,0,1|2,0,0]=4 258 B13R1.149 O=C(O)CCCC1=CC=CC(F)=C1 AB9372 [0,1,0,0,0,1|1,0,1]=4 259 B13R1.149 O=C(O)CCNC1=CC=CC(F)=C1 29126 [0,1,0,0,0,1|1,0,1]=4 260 B13R1.149 O=C(O)CCOC1=CC=CC(Cl)=C1 AC1669 [0,1,0,0,0,1|1,0,1]=4 261 B13R1.149 O=C(O)CCOC1=CC=CC(F)=C1 AC1671 [0,1,0,0,0,1|1,0,1]=4 262 B13R1.158 CC(=O)NCCC1=C(Br)C=CC=C1 W16283 [0,1,0,0,0,1|0,0,2]=4 263 B13R1.158 CN(C)CCOC1=C(Br)C=CC=C1 A11193 [0,1,0,0,0,1|2,0,0]=4 264 B13R1.158 O=C(O)CCCC1=C(Br)C=CC=C1 29554 [0,1,0,0,0,1|1,0,1]=4 265 B13R1.158 O=C(O)CCNC1=C(I)C=CC=C1 C90469 [0,1,0,0,0,1|1,0,1]=4 266 B13R1.158 O=C(O)CCOC1=C(Cl)C=CC=C1 W12416 [0,1,0,0,0,1|1,0,1]=4 267 B13R1.158 O=C(O)CCOC1=C(F)C=CC=C1 30855 [0,1,0,0,0,1|1,0,1]=4 268 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 27901 [0,1,0,0,0,1|0,0,2]=4 269 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 53132 [0,1,0,0,0,1|2,0,0]=4 270 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 24748 [0,1,0,0,0,1|1,0,1]=4 271 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 FD10278 [0,1,0,0,0,1|1,0,1]=4 272 B13R1.351 C[C@H](NCC1=CC=CC=C1)C(=O)O 60095 [0,1,0,0,0,1|1,0,1]=4 273 B13R1.351 C[C@H](O)C(=O)OCC1=CC=CC=C1 Y14681 [0,1,0,0,0,1|0,0,1]=3 274 B13R1.351 O=C(O)[C@@H](Br)CCC1=CC=CC=C1 72184 [0,1,0,0,0,1|1,0,1]=4 275 B13R1.513 CC(=O)NCCC1=CC=C(N)C=C1 AB10208 [0,1,0,0,0,1|0,0,2]=4 276 B13R1.513 CC1=CC=C(OCCN(C)C)C=C1 C75405 [0,1,0,0,0,1|2,0,0]=4 277 B13R1.513 O=C(O)CCNC1=CC=C(Br)C=C1 C77069 [0,1,0,0,0,1|1,0,1]=4 278 B13R1.513 O=C(O)CCNC1=CC=C(Cl)C=C1 D86561 [0,1,0,0,0,1|1,0,1]=4 279 B13R1.513 O=C(O)CCOC1=CC=C(Br)C=C1 71386 [0,1,0,0,0,1|1,0,1]=4 280 B13R1.718 CCC(=O)COCC1=CC=CC=C1 C74376 [0,1,0,0,0,1|0,0,2]=4 281 B13R1.718 COC(=O)COCC1=CC=CC=C1 W10280 [0,1,0,0,0,1|0,0,2]=4 282 B13R1.718 C[C@@H](CN)CNCC1=CC=CC=C1 T70173 [0,1,0,0,0,1|1,0,0]=3 283 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 36094 [0,1,0,0,0,1|1,0,0]=3 284 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 W15207 [0,1,0,0,0,1|1,0,0]=3 285 B13R1.718 O=C(CCl)OCCC1=CC=CC=C1 D94805 [0,1,0,0,0,1|0,0,2]=4 286 B13R1.718 OC[C@H](O)COCC1=CC=CC=C1 E10194 [0,1,0,0,0,1|0,0,0]=2 287 B13R1.718 O[C@H](CCl)CNCC1=CC=CC=C1 11730 [0,1,0,0,0,1|0,0,0]=2 288 B13R1.3523 CS(=O)(=O)NCCC1=CC=CC=C1 W10643 [0,1,0,0,0,1|1,0,1]=4 289 B13R1.3 CC(C)COC1=CC=C(C#N)C=C1 87764 [0,2,0,0,0,0|2,0,0]=4 290 B13R1.3 CC(C)COC1=CC=C(CN)C=C1 87763 [0,2,0,0,0,0|2,0,0]=4 291 B13R1.3 CC(C)COC1=CC=C(CN)C=C1 C13079 [0,2,0,0,0,0|2,0,0]=4 292 B13R1.3 COC1=CC=C(CNC(C)C)C=C1 C78415 [0,2,0,0,0,0|2,0,0]=4 293 B13R1.14 COC(=O)CCC1=CC=C(C)C=C1 D87477 [0,2,0,0,0,0|0,0,2]=4 294 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 C74823 [0,2,0,0,0,0|0,0,2]=4 295 B13R1.14 OC[C@H](O)COC1=CC=C(Br)C=C1 24246 [0,2,0,0,0,0|1,0,0]=3 296 B13R1.132 CC(C)C[C@H](N)C1=CC=C(Br)C=C1 Y11434 [0,2,0,0,0,0|1,0,0]=3 297 B13R1.132 CC(C)C[C@H](N)C1=CC=C(Br)C=C1 Y11435 [0,2,0,0,0,0|1,0,0]=3 298 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 56502 [0,2,0,0,0,0|1,0,1]=4 299 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 56504 [0,2,0,0,0,0|1,0,1]=4 300 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 F16882 [0,2,0,0,0,0|1,0,1]=4 301 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 Y10682 [0,2,0,0,0,0|1,0,1]=4 302 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 Y10448 [0,2,0,0,0,0|1,0,1]=4 303 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(F)C=C1 61114 [0,2,0,0,0,0|1,0,1]=4 304 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 A50481 [0,2,0,0,0,0|1,0,1]=4 305 B13R1.133 CC(C)C(=O)CC1=CC=C(F)C=C1 N12781 [0,2,0,0,0,0|1,0,1]=4 306 B13R1.133 CC(C)[C@@H](O)CC1=CC=C(Cl)C=C1 A12512 [0,2,0,0,0,0|1,0,0]=3 307 B13R1.133 C[C@@H](CC1=CC=C(Br)C=C1)C(=O)O D79738 [0,2,0,0,0,0|1,0,1]=4 308 B13R1.133 C[C@@H](CC1=CC=C(F)C=C1)C(=O)O 71965 [0,2,0,0,0,0|1,0,1]=4 309 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(Br)C=C1 AC1147 [0,2,0,0,0,0|1,0,1]=4 310 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(I)C=C1 96041 [0,2,0,0,0,0|1,0,1]=4 311 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 49162 [0,2,0,0,0,0|1,0,1]=4 312 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 D90895 [0,2,0,0,0,0|1,0,1]=4 313 B13R1.164 O=C(O)CCC1=C(Br)C=C(F)C=C1 Y10269 [0,2,0,0,0,0|1,0,1]=4 314 B13R1.164 O=C(O)CCC1=C(Cl)C=C(Br)C=C1 F52871 [0,2,0,0,0,0|1,0,1]=4 315 B13R1.164 O=C(O)CCC1=C(Cl)C=C(O)C=C1 75610 [0,2,0,0,0,0|1,0,1]=4 316 B13R1.164 O=C(O)CCC1=C(O)C=C(O)C=C1 I11543 [0,2,0,0,0,0|1,0,1]=4 317 B13R1.511 CC1=C(Br)C=C(CCC(=O)O)C=C1 F52888 [0,2,0,0,0,0|1,0,1]=4 318 B13R1.511 CC1=C(F)C=C(CCC(=O)O)C=C1 F52900 [0,2,0,0,0,0|1,0,1]=4 319 B13R1.511 CC1=C(F)C=CC(CCC(=O)O)=C1 F52891 [0,2,0,0,0,0|1,0,1]=4 320 B13R1.511 CC1=C(O)C=CC(CCC(=O)O)=C1 F52916 [0,2,0,0,0,0|1,0,1]=4 321 B13R1.511 O=C(O)CCC1=CC(F)=C(Br)C=C1 F52878 [0,2,0,0,0,0|1,0,1]=4 322 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 Y11662 [0,2,0,0,0,0|0,0,2]=4 323 B13R1.15 COC(=O)CCC1=CC(O)=CC=C1 Y10606 [0,2,0,0,0,0|0,0,2]=4 324 B13R1.15 COC(=O)CCC1=CC=CC(F)=C1 AB9718 [0,2,0,0,0,0|0,0,2]=4 325 B13R1.42 CC(=CC#N)CCC1=CC=CC=C1 D93259 [0,2,0,0,0,0|1,0,1]=4 326 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 C72746 [0,2,0,0,0,0|0,0,2]=4 327 B13R1.135 COC(=O)[C@@H](Br)CC1=CC=CC=C1 D97565 [0,2,0,0,0,0|0,0,2]=4 328 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 N12401 [0,2,0,0,0,0|0,0,2]=4 329 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)CCl F10924 [0,2,0,0,0,0|0,0,2]=4 330 B13R1.417 OCC(CO)OCC1=CC=CC=C1 T70300 [0,2,0,0,0,0|1,0,0]=3 331 B13R1.148 NC1=CC=CC(C[C@H](N)C(=O)O)=C1 F16900 [0,2,0,0,0,0|1,0,1]=4 332 B13R1.148 NC1=CC=CC(C[C@H](N)C(=O)O)=C1 Y10907 [0,2,0,0,0,0|1,0,1]=4 333 B13R1.148 N[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O Y10908 [0,2,0,0,0,0|1,0,1]=4 334 B13R1.148 N[C@@H](CC1=CC=CC(I)=C1)C(=O)O A50209 [0,2,0,0,0,0|1,0,1]=4 335 B13R1.202 CC1=C(C[C@H](N)C(=O)O)C=CC=C1 Y13384 [0,2,0,0,0,0|1,0,1]=4 336 B13R1.202 N[C@@H](CC1=C(Br)C=CC=C1)C(=O)O 76517 [0,2,0,0,0,0|1,0,1]=4 337 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O N14210 [0,2,0,0,0,0|1,0,1]=4 338 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O Y11804 [0,2,0,0,0,0|1,0,1]=4 339 B13R1.202 N[C@@H](CC1=C(F)C=CC=C1)C(=O)O Y12459 [0,2,0,0,0,0|1,0,1]=4 340 B13R1.202 N[C@@H](CC1=C(O)C=CC=C1)C(=O)O I10720 [0,2,0,0,0,0|1,0,1]=4 341 B13R1.202 N[C@@H](CC1=C(O)C=CC=C1)C(=O)O Y10472 [0,2,0,0,0,0|1,0,1]=4 342 B13R1.202 N[C@@H](CC1=C(O)C=CC=C1)C(=O)O Y11730 [0,2,0,0,0,0|1,0,1]=4 343 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 32246 [0,2,0,0,0,0|1,0,1]=4 344 B13R1.418 O=C(O)[C@H](CO)CC1=CC=CC=C1 87873 [0,2,0,0,0,0|1,0,1]=4 345 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O F10695 [0,2,0,0,0,0|1,0,1]=4 346 B13R1.147 CC1=CC=CC([C@@H](N)CC(=O)O)=C1 Y13375 [0,2,0,0,0,0|1,0,1]=4 347 B13R1.147 N[C@@H](CC(=O)O)C1=CC(O)=CC=C1 62468 [0,2,0,0,0,0|1,0,1]=4 348 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(Br)=C1 55908 [0,2,0,0,0,0|1,0,1]=4 349 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(Cl)=C1 58168 [0,2,0,0,0,0|1,0,1]=4 350 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(F)=C1 61005 [0,2,0,0,0,0|1,0,1]=4 351 B13R1.147 O=C(O)C[C@H](O)C1=CC=CC(Cl)=C1 D80731 [0,2,0,0,0,0|1,0,1]=4 352 B13R1.201 CC(C)CC(=O)C1=C(Cl)C=CC=C1 F10466 [0,2,0,0,0,0|1,0,1]=4 353 B13R1.201 CC(C)C[C@H](C)C1=C(N)C=CC=C1 C13510 [0,2,0,0,0,0|1,0,0]=3 354 B13R1.201 CC(C)C[C@H](N)C1=C(N)C=CC=C1 F52561 [0,2,0,0,0,0|1,0,0]=3 355 B13R1.201 CC1=C([C@@H](N)CC(=O)O)C=CC=C1 23591 [0,2,0,0,0,0|1,0,1]=4 356 B13R1.201 CC1=C([C@@H](N)CC(=O)O)C=CC=C1 A50482 [0,2,0,0,0,0|1,0,1]=4 357 B13R1.201 C[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 F30270 [0,2,0,0,0,0|1,0,1]=4 358 B13R1.201 N[C@@H](CC(=O)O)C1=C(Br)C=CC=C1 A50424 [0,2,0,0,0,0|1,0,1]=4 359 B13R1.201 N[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 58172 [0,2,0,0,0,0|1,0,1]=4 360 B13R1.201 N[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 58173 [0,2,0,0,0,0|1,0,1]=4 361 B13R1.201 N[C@@H](CC(=O)O)C1=C(F)C=CC=C1 77804 [0,2,0,0,0,0|1,0,1]=4 362 B13R1.347 CC(C)(CC(=O)O)C1=CC=CC=C1 D73877 [0,2,0,0,0,0|1,0,1]=4 363 B13R1.713 CN[C@@H](CN(C)C)C1=CC=CC=C1 AR3530 [0,2,0,0,0,0|2,0,0]=4 364 B13R1.90 COC1=C(CNC(C)C)C=CC=C1 C78446 [0,2,0,0,0,0|2,0,0]=4 365 B13R1.150 O=C(O)CCC1=CC=CC(Br)=C1F 24949 [0,2,0,0,0,0|1,0,1]=4 366 B13R1.893 CC1=CC(OCC(C)C)=C(N)C=C1 W16233 [0,2,0,0,0,0|2,0,0]=4 367 B13R1.893 O=C(O)CCC1=C(Br)C=CC(F)=C1 73542 [0,2,0,0,0,0|1,0,1]=4 368 B13R1.893 O=C(O)CCC1=C(F)C=CC(Br)=C1 F52877 [0,2,0,0,0,0|1,0,1]=4 369 B13R1.893 O=C(O)CCC1=C(F)C=CC(Cl)=C1 F52874 [0,2,0,0,0,0|1,0,1]=4 370 B13R1.893 O=C(O)CCC1=C(O)C=CC(Cl)=C1 I11661 [0,2,0,0,0,0|1,0,1]=4 371 B13R1.3787 CC1=CC=CC(C)=C1OC[C@H](C)N N16803 [0,2,0,0,0,0|2,0,0]=4 372 B13R1.3420 CC1=CC(C)=CC(OC[C@H](C)N)=C1 W10181 [0,2,0,0,0,0|2,0,0]=4 373 B13R1.3420 O=C(O)CCC1=CC(Br)=CC(Br)=C1 F52862 [0,2,0,0,0,0|1,0,1]=4 374 B11R2.1 C=C1CCC2=C1C=CC=C2 AC3155 [1,0,0,1,0,0|0,0,2]=4 375 B11R2.1 CC1=CCC2=C1C=CC=C2 C76459 [1,0,0,1,0,0|0,0,2]=4 376 B11R2.1 CN1CCC2=C1C=CC=C2 D83554 [1,0,0,1,0,0|1,0,0]=3 377 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E72710 [1,0,0,1,0,0|1,0,0]=3 378 B11R2.1 C[C@H]1CNC2=C1C=CC=C2 I11746 [1,0,0,1,0,0|1,0,0]=3 379 B11R2.1 NN1CCC2=C1C=CC=C2 C90200 [1,0,0,1,0,0|2,0,0]=4 380 B11R2.1 N[C@H]1CCC2=CC=CN=C21 H10539 [1,0,0,1,0,0|2,0,0]=4 381 B11R2.1 N[C@H]1CCC2=NC=CC=C21 87179 [1,0,0,1,0,0|2,0,0]=4 382 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79495 [1,0,0,1,0,0|2,0,0]=4 383 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D70931 [1,0,0,1,0,0|0,0,0]=2 384 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 87180 [1,0,0,1,0,0|1,0,0]=3 385 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79493 [1,0,0,1,0,0|1,0,0]=3 386 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79494 [1,0,0,1,0,0|1,0,0]=3 387 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D86160 [1,0,0,1,0,0|1,0,0]=3 388 B11R2.1 O[C@H]1CCC2=CC=CN=C21 E72697 [1,0,0,1,0,0|1,0,0]=3 389 B11R2.1 O[C@H]1COC2=NC=CC=C21 D97315 [1,0,0,1,0,0|2,0,0]=4 390 B11R2.4 NC1CC1C2=CC=CC=C2 P17182 [1,0,0,1,0,0|1,0,0]=3 391 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15693 [1,0,0,1,0,0|1,0,0]=3 392 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15694 [1,0,0,1,0,0|1,0,0]=3 393 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 D94291 [1,0,0,1,0,0|1,0,0]=3 394 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P16183 [1,0,0,1,0,0|1,0,0]=3 395 B11R2.4 OC1CC1C2=CC=CC=C2 F50832 [1,0,0,1,0,0|0,0,0]=2 396 B11R2.20 C1=CC2=C(C=C1)CCN=C2 F12436 [1,0,0,1,0,0|1,0,1]=4 397 B11R2.20 C1=CC2=C(C=C1)OCC=C2 N13096 [1,0,0,1,0,0|0,0,2]=4 398 B11R2.20 C1=CC2=C(C=N1)CCNC2 27429 [1,0,0,1,0,0|2,0,0]=4 399 B11R2.20 C1=CC2=C(C=N1)CCNC2 F52150 [1,0,0,1,0,0|2,0,0]=4 400 B11R2.20 C1=CC2=C(C=N1)CNCC2 67415 [1,0,0,1,0,0|2,0,0]=4 401 B11R2.20 C1=CC2=C(C=N1)NCCO2 84112 [1,0,0,1,0,0|2,0,0]=4 402 B11R2.20 C1=CC2=C(C=N1)OCCN2 83898 [1,0,0,1,0,0|2,0,0]=4 403 B11R2.20 C1=CN=C2CCCNC2=C1 30555 [1,0,0,1,0,0|2,0,0]=4 404 B11R2.20 C1=CN=C2CNCCC2=C1 67455 [1,0,0,1,0,0|2,0,0]=4 405 B11R2.20 C1=CN=C2OCCCC2=C1 AT22008 [1,0,0,1,0,0|1,0,0]=3 406 B11R2.20 C1=CN=C2OCCNC2=C1 83897 [1,0,0,1,0,0|2,0,0]=4 407 B11R2.20 C1=CN=C2OCCOC2=C1 F14644 [1,0,0,1,0,0|2,0,0]=4 408 B11R2.20 C1=NC=C2CCCCC2=N1 F16382 [1,0,0,1,0,0|2,0,0]=4 409 B11R2.239 C1=CC(C2CNC2)=CC=N1 84193 [1,0,0,1,0,0|2,0,0]=4 410 B11R2.239 C1=CC=C(C2CNC2)C=C1 84171 [1,0,0,1,0,0|1,0,0]=3 411 B11R2.239 C1=CC=C(C2COC2)C=C1 F51875 [1,0,0,1,0,0|1,0,0]=3 412 B11R2.239 C1=CC=C([C@@H]2CCN2)C=C1 C90175 [1,0,0,1,0,0|1,0,0]=3 413 B11R2.239 C1=CN=C(C2CNC2)C=C1 85626 [1,0,0,1,0,0|2,0,0]=4 414 B11R2.239 C1=CN=CC(C2CNC2)=C1 84095 [1,0,0,1,0,0|2,0,0]=4 415 B11R2.10 CC1=CC2=C(C=CC=C2)O1 F11695 [0,0,0,1,1,0|0,0,2]=4 416 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 P16419 [0,0,0,1,1,0|1,0,0]=3 417 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 VT1375 [0,0,0,1,1,0|1,0,0]=3 418 B11R2.36 O[C@H]1CCC2=NC=CN2C1 I10038 [0,0,0,1,1,0|2,0,0]=4 419 B11R2.36 O[C@H]1CCN2C=CN=C2C1 D80225 [0,0,0,1,1,0|2,0,0]=4 420 B13R2.10 C[C@H]1CCC(C2=CC=CC=C2)N1 P15237 [0,0,0,1,0,1|1,0,0]=3 421 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 53458 [0,0,0,1,0,1|0,0,2]=4 422 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 94449 [0,0,0,1,0,1|0,0,2]=4 423 B13R2.10 O=C1NC[C@@H](C2=CC=CC=C2)O1 W13319 [0,0,0,1,0,1|1,0,1]=4 424 B13R2.31 NC1CC(CC2=CC=CC=C2)C1 67223 [0,0,0,1,0,1|1,0,0]=3 425 B13R2.31 NC1CN(CC2=CC=CC=C2)C1 Y10930 [0,0,0,1,0,1|1,0,0]=3 426 B13R2.31 O=C1CC(CC2=CC=CC=C2)C1 67222 [0,0,0,1,0,1|0,0,2]=4 427 B13R2.31 OC1CC(CC2=CC=CC=C2)C1 67206 [0,0,0,1,0,1|0,0,0]=2 428 B13R2.72 O=C(O)[C@@H]1CNC2=C1C=CC=C2 60540 [0,0,0,1,0,1|1,0,1]=4 429 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 F31040 [0,0,0,1,0,1|1,0,1]=4 430 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 F52104 [0,0,0,1,0,1|1,0,1]=4 431 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 Y10427 [0,0,0,1,0,1|1,0,1]=4 432 B13R2.163 O=C1CCOC2=C(C=CC=C2)C1 P11804 [0,0,0,1,0,1|0,0,2]=4 433 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 F12973 [0,0,0,1,0,1|1,0,1]=4 434 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 W13292 [0,0,0,1,0,1|1,0,1]=4 435 B13R2.3122 CC1(C)CCNC2=C1C=CC=C2 W18201 [0,0,0,1,0,1|1,0,0]=3 436 B13R2.147 N[C@H]1C[C@H](C2=CC=C(Br)C=C2)C1 AC4848 [0,1,0,1,0,0|1,0,0]=3 437 B13R2.147 O=C1CC(C2=CC=C(Cl)C=C2)C1 91861 [0,1,0,1,0,0|0,0,2]=4 438 B13R2.147 OC1CC(C2=CC=C(Br)C=C2)C1 AC1673 [0,1,0,1,0,0|0,0,0]=2 439 B13R2.147 O[C@H]1C[C@H](C2=CC=C(Br)C=C2)C1 91837 [0,1,0,1,0,0|0,0,0]=2 440 B13R2.155 CC1=CC2=C(C=C1)CCC(=O)C2 N10443 [0,1,0,1,0,0|0,0,2]=4 441 B13R2.155 CN1CCC2=C(C=C(N)C=C2)C1 38466 [0,1,0,1,0,0|2,0,0]=4 442 B13R2.155 C[C@H]1CNC2=C(C=C(Br)C=C2)O1 77196 [0,1,0,1,0,0|1,0,0]=3 443 B13R2.155 C[C@H]1COC2=C(C=C(Br)C=C2)N1 51780 [0,1,0,1,0,0|2,0,0]=4 444 B13R2.155 N[C@H]1CCC2=C(C=C(Br)C=C2)C1 AB10494 [0,1,0,1,0,0|1,0,0]=3 445 B13R2.155 N[C@H]1CCC2=C(C=C(Br)C=C2)C1 F14427 [0,1,0,1,0,0|1,0,0]=3 446 B13R2.155 N[C@H]1CCC2=C(C=C(F)C=C2)C1 N10462 [0,1,0,1,0,0|1,0,0]=3 447 B13R2.155 N[C@H]1CCC2=C(C=C(F)C=C2)C1 Y10675 [0,1,0,1,0,0|1,0,0]=3 448 B13R2.155 O=C1CCC2=C(C=C(Br)C=C2)C1 94666 [0,1,0,1,0,0|0,0,2]=4 449 B13R2.155 O=C1CCC2=C(C=C(O)C=C2)C1 24842 [0,1,0,1,0,0|0,0,2]=4 450 B13R2.155 O[C@@H]1CNC2=C(C=C(Br)C=C2)C1 D96766 [0,1,0,1,0,0|1,0,0]=3 451 B13R2.527 ClC1=CC=C(NCC2CC2)C=C1 N10007 [0,1,0,1,0,0|2,0,0]=4 452 B13R2.527 ClC1=CC=C(OC[C@H]2CO2)C=C1 28141 [0,1,0,1,0,0|1,0,0]=3 453 B13R2.527 FC1=CC=C(OCC2CC2)C=C1 W10912 [0,1,0,1,0,0|2,0,0]=4 454 B13R2.527 FC1=CC=C(OC[C@H]2CO2)C=C1 28072 [0,1,0,1,0,0|1,0,0]=3 455 B13R2.527 NC1=CC=C(CNC2CC2)C=C1 30532 [0,1,0,1,0,0|2,0,0]=4 456 B13R2.527 OC1=CC=C(OCC2CC2)C=C1 W15964 [0,1,0,1,0,0|2,0,0]=4 457 B13R2.3791 CC1(C)CNC2=C1C=C(Br)C=C2 P15412 [0,1,0,1,0,0|2,0,0]=4 458 B13R2.3791 CC1(C)COC2=C1C=C(Br)C=C2 53341 [0,1,0,1,0,0|2,0,0]=4 459 B13R2.32 CN1C(=O)CCC2=C1C=CC=C2 N11819 [0,1,0,1,0,0|0,0,2]=4 460 B13R2.32 NC1CCC2=C(C=CC=C2)C1O I10525 [0,1,0,1,0,0|1,0,0]=3 461 B13R2.32 N[C@@H]1C2=C(C=CC=C2)CC[C@H]1O V10228 [0,1,0,1,0,0|0,0,0]=2 462 B13R2.57 BrC[C@H]1CCC2=C(C=CC=C2)O1 24185 [0,1,0,1,0,0|0,0,0]=2 463 B13R2.57 NC[C@H]1CCC2=C(C=CC=C2)O1 50365 [0,1,0,1,0,0|0,0,0]=2 464 B13R2.57 OC[C@H]1CC2=C(C=CC=C2)CN1 24600 [0,1,0,1,0,0|1,0,0]=3 465 B13R2.57 OC[C@H]1COC2=C(C=CC=C2)O1 I10628 [0,1,0,1,0,0|1,0,0]=3 466 B13R2.57 OC[C@H]1COC2=C(C=CC=C2)O1 I10630 [0,1,0,1,0,0|1,0,0]=3 467 B13R2.2383 C1=CC=C(CNC2CCC2)C=C1 AB12161 [0,1,0,1,0,0|2,0,0]=4 468 B13R2.2383 C1=CC=C(CNC2COC2)C=C1 C73722 [0,1,0,1,0,0|1,0,0]=3 469 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 D84539 [0,1,0,1,0,0|2,0,0]=4 470 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 S11057 [0,1,0,1,0,0|2,0,0]=4 471 B13R2.369 O=C1NC2=C(C=CC=C2)C[C@@H]1O W17609 [0,1,0,1,0,0|1,0,1]=4 472 B13R2.435 CC(=O)C1CC2=C(C=CC=C2)C1 75402 [0,1,0,1,0,0|0,0,2]=4 473 B13R2.3080 CC1(C)[C@@H](N)[C@@H]1C2=CC=CC=C2 C13591 [0,1,0,1,0,0|1,0,0]=3 474 B13R2.238 NC1CC(O)(C2=CC=CC=C2)C1 P14926 [0,1,0,1,0,0|1,0,0]=3 475 B13R2.328 C[C@H]1CC(=O)C2=C(C=CC=C2)N1 72373 [0,1,0,1,0,0|1,0,1]=4 476 B13R2.690 O=C(CC1CC1)C2=CC=CC=C2 72374 [0,1,0,1,0,0|1,0,1]=4 477 B13R2.216 OC1CC(C2=C(Cl)C=CC=C2)C1 AC1660 [0,1,0,1,0,0|0,0,0]=2 478 B13R2.222 CC1(C)C=CC2=C(C=CC=C2)O1 D78717 [0,1,0,1,0,0|0,0,2]=4 479 B13R2.3587 FC1=C(OC[C@H]2CO2)C=CC=C1 28298 [0,1,0,1,0,0|1,0,0]=3 480 B13R2.3587 NC1=C(OCC2CC2)C=CC=C1 F21206 [0,1,0,1,0,0|2,0,0]=4 481 B13R2.4848 CC1(C)CCC2=C(N)C=CC=C21 Y14422 [0,1,0,1,0,0|1,0,0]=3 482 B13R2.4848 CC1(C)CNC2=C(Br)C=CC=C21 85452 [0,1,0,1,0,0|2,0,0]=4 483 B13R2.5179 CN1CCC2=C(O)C=CC=C2C1 F14432 [0,1,0,1,0,0|2,0,0]=4 484 B13R2.5179 N[C@H]1CCC2=C(O)C=CC=C2C1 D85475 [0,1,0,1,0,0|1,0,0]=3 485 B13R2.5179 O=C1CCC2=C(Br)C=CC=C2C1 N10441 [0,1,0,1,0,0|0,0,2]=4 486 B13R2.5179 O=C1CCC2=C(Cl)C=CC=C2C1 S11508 [0,1,0,1,0,0|0,0,2]=4 487 B13R2.151 O=C1CC(C2=CC=CC(Br)=C2)C1 91866 [0,1,0,1,0,0|0,0,2]=4 488 B13R2.151 O=C1CC(C2=CC=CC(Cl)=C2)C1 91865 [0,1,0,1,0,0|0,0,2]=4 489 B13R2.162 O=C1CCC2=CC=CC(Br)=C2C1 F12566 [0,1,0,1,0,0|0,0,2]=4 490 B13R2.162 O=C1CCC2=CC=CC(Cl)=C2C1 Y10481 [0,1,0,1,0,0|0,0,2]=4 491 B13R2.162 O=C1CCC2=CC=CC(F)=C2C1 N10442 [0,1,0,1,0,0|0,0,2]=4 492 B13R2.3108 CC1(C)CNC2=C1C=CC(Br)=C2 85443 [0,1,0,1,0,0|2,0,0]=4 493 B13R2.3108 CC1(C)CNC2=C1C=CC(Cl)=C2 85441 [0,1,0,1,0,0|2,0,0]=4 494 B13R2.3108 CC1(C)CNC2=C1C=CC(N)=C2 52164 [0,1,0,1,0,0|2,0,0]=4 495 B13R2.3108 C[C@]1(N)CCC2=C1C=CC(Br)=C2 82169 [0,1,0,1,0,0|1,0,0]=3 496 B13R2.3683 CC1=CC2=C(C=C1)CC(=O)CC2 Y11712 [0,1,0,1,0,0|0,0,2]=4 497 B13R2.3683 CN1CCC2=C(C=CC(F)=C2)C1 D80158 [0,1,0,1,0,0|2,0,0]=4 498 B13R2.3683 CN1CCC2=C(C=CC(N)=C2)C1 Y11307 [0,1,0,1,0,0|2,0,0]=4 499 B13R2.3683 CN1CCC2=C(C=CC(O)=C2)C1 F14525 [0,1,0,1,0,0|2,0,0]=4 500 B13R2.3683 C[C@H]1CC2=C(C=C(Br)C=C2)CN1 F52643 [0,1,0,1,0,0|2,0,0]=4 501 B13R2.3683 C[C@H]1CCC2=C(C=CC(N)=C2)N1 W10064 [0,1,0,1,0,0|1,0,0]=3 502 B13R2.3683 C[C@H]1CNC2=C(C=CC(Br)=C2)O1 51776 [0,1,0,1,0,0|1,0,0]=3 503 B13R2.3683 C[C@H]1CNC2=C(C=CC(Br)=C2)S1 77183 [0,1,0,1,0,0|1,1,0]=4 504 B13R2.3683 C[C@H]1COC2=C(C=CC(F)=C2)N1 88563 [0,1,0,1,0,0|2,0,0]=4 505 B13R2.3683 N[C@H]1CCC2=C(C=CC(Br)=C2)C1 20174 [0,1,0,1,0,0|1,0,0]=3 506 B13R2.3683 N[C@H]1CCC2=C(C=CC(Br)=C2)C1 S11530 [0,1,0,1,0,0|1,0,0]=3 507 B13R2.3683 N[C@H]1CCC2=C(C=CC(Cl)=C2)C1 20172 [0,1,0,1,0,0|1,0,0]=3 508 B13R2.3683 N[C@H]1CCC2=C(C=CC(F)=C2)C1 Y11723 [0,1,0,1,0,0|1,0,0]=3 509 B13R2.3683 N[C@H]1CCC2=C(C=CC(F)=C2)C1 Y11805 [0,1,0,1,0,0|1,0,0]=3 510 B13R2.3683 O=C1CCC2=C(C=CC(Br)=C2)O1 Y10639 [0,1,0,1,0,0|1,0,1]=4 511 B13R2.3683 O=C1CCC2=C(C=CC(F)=C2)C1 25475 [0,1,0,1,0,0|0,0,2]=4 512 B13R2.3683 O[C@H]1CCC2=C(C=CC(F)=C2)C1 Y11724 [0,1,0,1,0,0|0,0,0]=2 513 B13R2.5331 OC1=CC=CC(OCC2CC2)=C1 W19104 [0,1,0,1,0,0|2,0,0]=4 514 B13R2.13023 CC1(C)CNC2=C1C(N)=CC=C2 D81254 [0,1,0,1,0,0|2,0,0]=4 515 B13R2.13023 CC1(C)CNC2=CC=CC(Cl)=C21 51390 [0,1,0,1,0,0|2,0,0]=4 516 B13R3.28 C1=CC2=C(C=C1)C3CC3CN2 VT1312 [0,0,0,2,0,0|2,0,0]=4 517 B13R3.2262 C1=CC2=C(C=C1)C3(CC3)CN2 84867 [0,0,0,2,0,0|2,0,0]=4 518 B9R1.12 CCNCC1=CC=CO1 C77903 [1,0,0,0,1,0|2,0,0]=4 519 B9R1.12 COCCN1C=CC=C1 W16108 [1,0,0,0,1,0|2,0,0]=4 520 B9R1.12 OCCCC1=CNC=N1 12540 [1,0,0,0,1,0|2,0,0]=4 521 B9R1.12 OCCCC1=CSC=C1 32572 [1,0,0,0,1,0|1,0,0]=3 522 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13294 [0,0,0,0,2,0|2,0,0]=4 523 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [0,0,0,0,2,0|1,0,0]=3 524 B9R1.6 C[C@H](N)C1=CC=CN=C1 20316 [0,0,0,0,2,0|2,0,0]=4 525 B9R1.6 C[C@H](N)C1=CC=CN=C1 74003 [0,0,0,0,2,0|2,0,0]=4 526 B9R1.6 C[C@H](N)C1=CC=CN=C1 74005 [0,0,0,0,2,0|2,0,0]=4 527 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31031 [0,0,0,0,2,0|2,0,0]=4 528 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31032 [0,0,0,0,2,0|2,0,0]=4 529 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31033 [0,0,0,0,2,0|2,0,0]=4 530 B9R1.6 C[C@H](N)C1=CC=NC=C1 N10538 [0,0,0,0,2,0|2,0,0]=4 531 B9R1.6 C[C@H](O)C1=NC=CC=C1 A11519 [0,0,0,0,2,0|1,0,0]=3 532 B9R1.6 C[C@H](O)C1=NC=CC=C1 C16040 [0,0,0,0,2,0|1,0,0]=3 533 B9R1.6 C[C@H](O)C1=NC=CC=N1 72303 [0,0,0,0,2,0|2,0,0]=4 534 B9R1.6 C[C@H](O)C1=NC=CC=N1 P19373 [0,0,0,0,2,0|2,0,0]=4 535 B9R1.6 C[C@H](O)C1=NC=CC=N1 P20178 [0,0,0,0,2,0|2,0,0]=4 536 B9R1.6 C[C@H](O)C1=NC=CN=C1 D82306 [0,0,0,0,2,0|2,0,0]=4 537 B9R1.13 C[C@H](N)CC1=CSC=C1 89729 [0,0,0,0,2,0|2,0,0]=4 538 B13R1.337 CC(=O)CCCCC1=CC=CC=C1 D97314 [0,0,0,0,0,2|0,0,2]=4 539 B13R1.337 CC(=O)CCNCC1=CC=CC=C1 50047 [0,0,0,0,0,2|0,0,2]=4 540 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 AT23512 [0,0,0,0,0,2|1,0,1]=4 541 B13R1.337 O=C(O)CNCCC1=CC=CC=C1 W15237 [0,0,0,0,0,2|1,0,1]=4