0 B11R1.16 C#CC[C@H](O)C1=CC=CC=C1 W15219 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 N12265 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.16 CN(CCBr)C1=CC=CC=C1 W15250 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.16 CN(CCO)C1=CC=NC=C1 AT18109 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.16 CNC[C@H](C)C1=CC=CC=C1 C11240 [0,0,0,0,0,0|0,0,0]=0 5 B11R1.16 CNC[C@H](O)C1=CC=CC=C1 C11214 [0,0,0,0,0,0|1,0,0]=1 6 B11R1.16 COC[C@H](N)C1=CC=CC=C1 AC6537 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.16 NCC[C@H](N)C1=CC=CC=C1 N14729 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.16 NCC[C@H](N)C1=CC=CC=C1 N14730 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.16 OCC[C@H](O)C1=CC=CC=C1 C80043 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.15 C=C(CO)C1=CC=CC=C1 A11577 [1,0,0,0,0,0|1,0,2]=4 11 B10R1.15 CCC(=O)C1=CC=NC=C1 N12310 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.15 CCN(C)C1=NC=CC=C1 T72928 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.15 CC[C@H](N)C1=CC=CC=C1 N12648 [1,0,0,0,0,0|1,0,0]=2 14 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10611 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P11367 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P15053 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 L10186 [1,0,0,0,0,0|0,0,0]=1 18 B10R1.15 COC(=N)C1=CC=CC=C1 W12775 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1146 [1,0,0,0,0,0|1,0,1]=3 20 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1167 [1,0,0,0,0,0|1,0,1]=3 21 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10550 [1,0,0,0,0,0|1,0,0]=2 22 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10551 [1,0,0,0,0,0|1,0,0]=2 23 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14528 [1,0,0,0,0,0|1,0,0]=2 24 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14530 [1,0,0,0,0,0|1,0,0]=2 25 B10R1.15 NCC(=O)C1=CN=CC=C1 D87739 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.15 NCC(=O)C1=CN=CC=C1 F13353 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.15 NC[C@H](O)C1=CC=NC=C1 C78562 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.15 NC[C@H](O)C1=CN=CC=C1 33361 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y11546 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y12429 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12120 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12118 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12119 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12430 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.15 O[C@@H](CCl)C1=CN=CC=C1 Y10944 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.17 CCCCC1=CC=CN=N1 O10974 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.17 CNCCC1=CC=CN=C1 C73747 [1,0,0,0,0,0|1,0,0]=2 38 B10R1.17 CNCCC1=CC=NC=C1 AR1715 [1,0,0,0,0,0|1,0,0]=2 39 B10R1.17 CNNCC1=NC=CC=C1 30190 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.17 FCCNC1=CC=CC=C1 D77931 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.17 NNCCC1=CC=CC=C1 AC4670 [1,0,0,0,0,0|1,0,0]=2 42 B10R1.17 NOCCC1=CC=CC=C1 C10179 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.17 O=CCCC1=NC=CC=C1 P20552 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.17 O=CCOC1=CC=CC=C1 C15303 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.17 OCCCC1=CN=CC=C1 AC5531 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.17 SCCCC1=CN=CC=C1 F18019 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.17 SCCCC1=NC=CC=C1 F18728 [1,0,0,0,0,0|3,0,0]=4 48 B12R1.16 CCC[C@H](N)C1=CC=C(F)C=C1 F21118 [0,1,0,0,0,0|2,0,0]=3 49 B12R1.16 CN(CCO)C1=CC=C(N)C=C1 32810 [0,1,0,0,0,0|3,0,0]=4 50 B12R1.16 COC[C@H](N)C1=CC=C(Br)C=C1 N11361 [0,1,0,0,0,0|2,0,0]=3 51 B12R1.16 COC[C@H](N)C1=CC=C(Cl)C=C1 N13032 [0,1,0,0,0,0|2,0,0]=3 52 B12R1.16 COC[C@H](N)C1=CC=C(F)C=C1 N13057 [0,1,0,0,0,0|2,0,0]=3 53 B12R1.16 COC[C@H](N)C1=CC=C(F)C=C1 N13150 [0,1,0,0,0,0|2,0,0]=3 54 B12R1.16 COC[C@H](N)C1=CC=C(F)C=C1 N16979 [0,1,0,0,0,0|2,0,0]=3 55 B12R1.16 NC1=CC=C([C@@H](N)CCO)C=C1 51805 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.16 NCC[C@H](O)C1=CC=C(Cl)C=C1 74612 [0,1,0,0,0,0|3,0,0]=4 57 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 58177 [0,1,0,0,0,0|3,0,0]=4 58 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 60079 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.16 OCC[C@H](O)C1=CC=C(Br)C=C1 AT23932 [0,1,0,0,0,0|3,0,0]=4 60 B12R1.17 C=CC[C@H](N)C1=CC=CC(Br)=C1 74253 [0,1,0,0,0,0|2,0,1]=4 61 B12R1.17 CCCC(=O)C1=CC(C)=CC=C1 N13969 [0,1,0,0,0,0|2,0,1]=4 62 B12R1.17 CCCC(=O)C1=CC=CC(Cl)=C1 N13955 [0,1,0,0,0,0|2,0,1]=4 63 B12R1.17 CCCC(=O)C1=CC=CC(F)=C1 N13952 [0,1,0,0,0,0|2,0,1]=4 64 B12R1.17 CN(CCBr)C1=CC(F)=CC=C1 72470 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.17 COC[C@H](N)C1=CC=CC(Cl)=C1 N13031 [0,1,0,0,0,0|2,0,0]=3 66 B12R1.17 COC[C@H](N)C1=CC=CC(F)=C1 D81287 [0,1,0,0,0,0|2,0,0]=3 67 B12R1.17 N#CC[C@H](O)C1=CC=CC(O)=C1 D85736 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.17 N[C@@H](CCO)C1=CC=CC(Cl)=C1 57810 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.17 N[C@@H](CCO)C1=CC=CC(O)=C1 62481 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.30 CCCC[C@H](N)C1=CC=NC=C1 N12642 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.30 CCCC[C@H](N)C1=NC=CC=C1 N12541 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.30 CCOC[C@H](N)C1=CC=CC=C1 D73857 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.30 C[C@H](NCCO)C1=CC=CC=C1 N12299 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.30 C[C@H](NCCO)C1=CC=CC=C1 N12300 [0,1,0,0,0,0|2,0,0]=3 75 B12R1.34 CCC(=O)[C@H](C)C1=CC=CC=C1 F30714 [0,1,0,0,0,0|1,0,1]=3 76 B12R1.34 CC[C@H](C)C(=O)C1=CC=CC=C1 N13974 [0,1,0,0,0,0|2,0,1]=4 77 B12R1.34 CNC(=O)[C@H](O)C1=CC=CC=C1 E72123 [0,1,0,0,0,0|1,0,1]=3 78 B12R1.34 COC(=O)[C@H](C)C1=CN=CC=C1 P11935 [0,1,0,0,0,0|2,0,1]=4 79 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 N12667 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.34 C[C@@H](C(=O)NN)C1=CC=CC=C1 AC8780 [0,1,0,0,0,0|1,0,1]=3 81 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 23172 [0,1,0,0,0,0|3,0,0]=4 82 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 AT23147 [0,1,0,0,0,0|3,0,0]=4 83 B12R1.39 C#CC[C@](C)(O)C1=CC=CC=C1 AC6574 [0,1,0,0,0,0|1,0,1]=3 84 B12R1.39 C#CC[C@](C)(O)C1=CC=NC=C1 AC6330 [0,1,0,0,0,0|2,0,1]=4 85 B12R1.39 COCS(=O)(=O)C1=CC=CC=C1 T71828 [0,1,0,0,0,0|3,0,0]=4 86 B12R1.107 CC(C)C[C@H](N)C1=CC=NC=C1 AC7589 [0,1,0,0,0,0|3,0,0]=4 87 B12R1.107 CC(C)C[C@H](O)C1=CN=CC=C1 F50992 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.107 CC(C)N[C@@H](C)C1=CC=CC=C1 A11925 [0,1,0,0,0,0|2,0,0]=3 89 B12R1.107 CN(C)C[C@H](O)C1=CC=CC=C1 C78399 [0,1,0,0,0,0|1,0,0]=2 90 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 C11665 [0,1,0,0,0,0|3,0,0]=4 91 B12R1.308 C=CC[C@H](O)C1=C(Cl)C=CC=C1 F14511 [0,1,0,0,0,0|2,0,1]=4 92 B12R1.308 CCCC(=O)C1=C(Br)C=CC=C1 N13959 [0,1,0,0,0,0|2,0,1]=4 93 B12R1.308 CCCC(=O)C1=C(C)C=CC=C1 N13966 [0,1,0,0,0,0|2,0,1]=4 94 B12R1.308 CCCC(=O)C1=C(Cl)C=CC=C1 N12776 [0,1,0,0,0,0|2,0,1]=4 95 B12R1.308 CCCC(=O)C1=C(F)C=CC=C1 N13948 [0,1,0,0,0,0|2,0,1]=4 96 B12R1.308 CCC[C@H](N)C1=NC=CC=C1C N13874 [0,1,0,0,0,0|3,0,0]=4 97 B12R1.308 CCC[C@H](N)C1=NC=CC=C1C N13875 [0,1,0,0,0,0|3,0,0]=4 98 B12R1.308 CCC[C@H](N)C1=NC=CC=C1C N13876 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.308 CCC[C@H](N)C1=NC=CC=C1C N13884 [0,1,0,0,0,0|3,0,0]=4 100 B12R1.308 CCC[C@H](N)C1=NC=CC=C1C N13885 [0,1,0,0,0,0|3,0,0]=4 101 B12R1.308 N[C@@H](CCO)C1=C(Br)C=CC=C1 N13027 [0,1,0,0,0,0|3,0,0]=4 102 B12R1.308 N[C@@H](CCO)C1=C(Cl)C=CC=C1 58181 [0,1,0,0,0,0|3,0,0]=4 103 B12R1.308 N[C@@H](CCO)C1=C(F)C=CC=C1 N10902 [0,1,0,0,0,0|3,0,0]=4 104 B12R2.2 C1=CC([C@@H]2CCCN2)=CC=N1 CS3573 [0,0,0,1,0,0|3,0,0]=4 105 B12R2.2 C1=CC([C@@H]2CCCN2)=CC=N1 CS3576 [0,0,0,1,0,0|3,0,0]=4 106 B12R2.2 C1=CC=C(C2=CCCC2)C=C1 F14027 [0,0,0,1,0,0|1,0,2]=4 107 B12R2.2 C1=CC=C(C2=CCNC2)C=C1 F52289 [0,0,0,1,0,0|0,0,2]=3 108 B12R2.2 C1=CC=C(C2OCCO2)C=C1 H10024 [0,0,0,1,0,0|3,0,0]=4 109 B12R2.2 C1=CC=C(N2C=CCC2)C=C1 C14865 [0,0,0,1,0,0|2,0,1]=4 110 B12R2.2 C1=CC=C([C@@H]2CCON2)C=C1 E70057 [0,0,0,1,0,0|2,0,0]=3 111 B12R2.2 C1=CN=C(C2CCCC2)C=C1 C91562 [0,0,0,1,0,0|2,0,0]=3 112 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 Y11599 [0,0,0,1,0,0|3,0,0]=4 113 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 N14317 [0,0,0,1,0,0|3,0,0]=4 114 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 Y10529 [0,0,0,1,0,0|3,0,0]=4 115 B12R2.2 C1=CN=CC([C@H]2CCNC2)=C1 27259 [0,0,0,1,0,0|1,0,0]=2 116 B12R2.2 C1=CN=CC([C@H]2CCNC2)=C1 50282 [0,0,0,1,0,0|1,0,0]=2 117 B12R2.22 BrC1CC(C2=CC=CC=C2)C1 AT17150 [0,0,0,1,0,0|2,0,0]=3 118 B12R2.22 NC1CC(C2=CC=CN=C2)C1 F53675 [0,0,0,1,0,0|3,0,0]=4 119 B12R2.22 NC1CN(C2=CC=CC=C2)C1 P20296 [0,0,0,1,0,0|3,0,0]=4 120 B12R2.22 O=C1CC(C2=CN=CC=C2)C1 F53801 [0,0,0,1,0,0|3,0,0]=4 121 B12R2.22 O=C1C[C@@H](C2=CC=CC=C2)N1 76187 [0,0,0,1,0,0|3,0,0]=4 122 B12R2.22 OC1CC(C2=CC=CC=C2)C1 91859 [0,0,0,1,0,0|2,0,0]=3 123 B12R2.27 BrC[C@@H]1C[C@@H]1C2=CC=CC=C2 55233 [0,0,0,1,0,0|2,0,0]=3 124 B12R2.27 BrC[C@H]1C[C@@H]1C2=CC=CC=C2 55239 [0,0,0,1,0,0|2,0,0]=3 125 B12R2.27 O=CC1CC1C2=CC=CC=C2 F52095 [0,0,0,1,0,0|2,0,0]=3 126 B12R2.27 OCC1CC1C2=NC=CC=C2 91729 [0,0,0,1,0,0|3,0,0]=4 127 B12R2.27 OC[C@H]1C[C@@H]1C2=NC=CC=C2 91718 [0,0,0,1,0,0|3,0,0]=4 128 B12R2.116 NC1(C2=CC=CC=C2)CNC1 59782 [0,0,0,1,0,0|1,0,0]=2 129 B12R2.116 NC1(C2=CC=NC=C2)CCC1 F53784 [0,0,0,1,0,0|3,0,0]=4 130 B12R2.116 OC1(C2=CC=CC=C2)CNC1 S11403 [0,0,0,1,0,0|1,0,0]=2 131 B12R2.116 OC1(C2=CN=CC=C2)CCC1 A51224 [0,0,0,1,0,0|3,0,0]=4 132 B12R2.116 OC1(C2=NC=CC=C2)CNC1 N13349 [0,0,0,1,0,0|2,0,0]=3 133 B12R2.1081 C=C1CCCC2=C1C=CC=C2 D87874 [0,0,0,1,0,0|1,0,2]=4 134 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 71815 [0,0,0,1,0,0|0,0,0]=1 135 B12R2.1081 Cl[C@H]1CCCC2=C1C=CC=C2 A11734 [0,0,0,1,0,0|2,0,0]=3 136 B12R2.1081 Cl[C@H]1CCCC2=CC=CN=C21 P16790 [0,0,0,1,0,0|3,0,0]=4 137 B12R2.1081 N[C@H]1CCCC2=C1C=NC=C2 F13769 [0,0,0,1,0,0|3,0,0]=4 138 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 22992 [0,0,0,1,0,0|3,0,0]=4 139 B12R2.1081 N[C@H]1CSCC2=C1C=CC=C2 SC2891 [0,0,0,1,0,0|2,0,0]=3 140 B12R2.1081 O=C1CNCC2=C1C=CC=C2 F12400 [0,0,0,1,0,0|1,0,1]=3 141 B12R2.1081 O[C@H]1CCCC2=C1C=CC=N2 90007 [0,0,0,1,0,0|3,0,0]=4 142 B12R2.1081 O[C@H]1CCCC2=CC=CN=C21 AC7539 [0,0,0,1,0,0|3,0,0]=4 143 B12R2.1081 O[C@H]1CNCC2=C1C=CC=C2 95583 [0,0,0,1,0,0|1,0,0]=2 144 B12R2.1081 O[C@H]1CNCC2=C1C=CC=C2 F13197 [0,0,0,1,0,0|1,0,0]=2 145 B12R2.2028 O=C1C[C@H](O)C2=C1C=CC=C2 93243 [0,0,0,1,0,0|3,0,0]=4 146 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 F13978 [0,0,0,1,0,0|2,0,0]=3 147 B12R2.2075 N[C@H](C1=CC=NC=C1)C2CC2 S11230 [0,0,0,1,0,0|3,0,0]=4 148 B12R2.2075 N[C@H](C1=NC=CC=C1)C2CC2 E70146 [0,0,0,1,0,0|3,0,0]=4 149 B12R2.2075 O[C@H](C1=CC=NC=C1)C2CC2 AC5878 [0,0,0,1,0,0|3,0,0]=4 150 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16695 [0,0,0,0,1,0|3,0,0]=4 151 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16696 [0,0,0,0,1,0|3,0,0]=4 152 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16697 [0,0,0,0,1,0|3,0,0]=4 153 B10R1.11 CCC[C@H](N)C1=CC=CS1 Y14857 [0,0,0,0,1,0|3,0,0]=4 154 B10R1.11 CCC[C@H](N)C1=COC=C1 N16726 [0,0,0,0,1,0|3,0,0]=4 155 B10R1.11 CCC[C@H](N)C1=COC=C1 N16727 [0,0,0,0,1,0|3,0,0]=4 156 B10R1.11 CCC[C@H](N)C1=COC=C1 N16728 [0,0,0,0,1,0|3,0,0]=4 157 B12R1.32 C#CCN(C)CC1=CC=CC=C1 T72610 [0,0,0,0,0,1|2,0,1]=4 158 B12R1.32 CON[C@@H](C)CC1=CC=CC=C1 D79919 [0,0,0,0,0,1|2,0,0]=3 159 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13293 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.6 C[C@H](N)C1=CC=CN=C1 S11132 [2,0,0,0,0,0|1,0,0]=3 161 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31048 [2,0,0,0,0,0|1,0,0]=3 162 B9R1.6 C[C@H](N)C1=CN=CN=C1 P14618 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.6 C[C@H](N)C1=NC=CC=C1 90514 [2,0,0,0,0,0|1,0,0]=3 164 B9R1.6 C[C@H](N)C1=NC=CC=N1 72045 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93141 [2,0,0,0,0,0|2,0,0]=4 166 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93144 [2,0,0,0,0,0|2,0,0]=4 167 B9R1.6 C[C@H](N)C1=NC=NC=C1 N10689 [2,0,0,0,0,0|2,0,0]=4 168 B9R1.6 C[C@H](N)C1=NC=NC=C1 P10880 [2,0,0,0,0,0|2,0,0]=4 169 B9R1.8 BrCCC1=CN=CC=C1 C77647 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.8 CCCC1=CC=CN=C1 O11051 [2,0,0,0,0,0|1,0,0]=3 171 B9R1.8 CCC[N+]1=CC=CC=C1 T72121 [2,0,0,0,0,0|1,0,0]=3 172 B9R1.8 CNCC1=CN=CN=C1 38577 [2,0,0,0,0,0|2,0,0]=4 173 B9R1.8 CNCC1=NC=CC=N1 27199 [2,0,0,0,0,0|2,0,0]=4 174 B9R1.8 CNCC1=NC=CC=N1 72796 [2,0,0,0,0,0|2,0,0]=4 175 B9R1.8 CNCC1=NC=NC=C1 C14477 [2,0,0,0,0,0|2,0,0]=4 176 B9R1.8 CNNC1=CC=CC=C1 C77159 [2,0,0,0,0,0|1,0,0]=3 177 B9R1.8 FCCC1=CC=CC=C1 75534 [2,0,0,0,0,0|1,0,0]=3 178 B9R1.8 NCCC1=CC=CC=C1 T71816 [2,0,0,0,0,0|0,0,0]=2 179 B9R1.8 NCCC1=CC=CC=C1 T72591 [2,0,0,0,0,0|0,0,0]=2 180 B9R1.8 NCCC1=NC=CC=N1 83201 [2,0,0,0,0,0|2,0,0]=4 181 B9R1.8 NCCC1=NC=CC=N1 P10852 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.8 NCCC1=NC=CN=C1 AT22557 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.8 NCCC1=NC=NC=C1 P10950 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.8 NNCC1=NC=CC=C1 P10521 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.8 OCCC1=CC=NC=C1 T72404 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.8 SCCC1=NC=CC=C1 F18309 [2,0,0,0,0,0|2,0,0]=4 187 B11R1.7 CC(C)(C=O)C1=CC=CC=C1 AT22663 [1,1,0,0,0,0|1,0,1]=4 188 B11R1.7 CC(C)(CBr)C1=CC=CC=C1 D78707 [1,1,0,0,0,0|1,0,0]=3 189 B11R1.7 CC(C)(CN)C1=CC=NC=C1 AT18144 [1,1,0,0,0,0|1,0,0]=3 190 B11R1.7 C[C@@](N)(C#N)C1=CC=CC=C1 AC6143 [1,1,0,0,0,0|0,0,2]=4 191 B11R1.7 C[C@](N)(CO)C1=CC=CC=C1 N12768 [1,1,0,0,0,0|1,0,0]=3 192 B11R1.12 CCC(CC)C1=CC=CC=C1 T71625 [1,1,0,0,0,0|0,0,0]=2 193 B11R1.12 CN[C@@H](CO)C1=CC=CC=C1 N12976 [1,1,0,0,0,0|0,0,0]=2 194 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 C75563 [1,1,0,0,0,0|1,0,1]=4 195 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13432 [1,1,0,0,0,0|1,0,0]=3 196 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13433 [1,1,0,0,0,0|1,0,0]=3 197 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13434 [1,1,0,0,0,0|1,0,0]=3 198 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13455 [1,1,0,0,0,0|1,0,0]=3 199 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13456 [1,1,0,0,0,0|1,0,0]=3 200 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13457 [1,1,0,0,0,0|1,0,0]=3 201 B11R1.22 CC1=CC=C([C@@H](O)CN)C=C1 C78285 [1,1,0,0,0,0|1,0,0]=3 202 B11R1.22 CC[C@H](C)C1=CC=C(Br)C=C1 O10385 [1,1,0,0,0,0|0,0,0]=2 203 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 N12295 [1,1,0,0,0,0|1,0,0]=3 204 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y11091 [1,1,0,0,0,0|0,0,0]=2 205 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y11092 [1,1,0,0,0,0|0,0,0]=2 206 B11R1.22 CO[C@@H](C)C1=CC=C(Br)C=C1 N11516 [1,1,0,0,0,0|1,0,0]=3 207 B11R1.22 C[C@@H](CN)C1=CC=C(Cl)C=C1 F20636 [1,1,0,0,0,0|0,0,0]=2 208 B11R1.22 C[C@@H](CN)C1=CC=C(O)C=C1 70995 [1,1,0,0,0,0|0,0,0]=2 209 B11R1.22 C[C@H](C#N)C1=CC=C(F)C=C1 AT19993 [1,1,0,0,0,0|0,0,2]=4 210 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 24831 [1,1,0,0,0,0|1,0,1]=4 211 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 F14651 [1,1,0,0,0,0|1,0,1]=4 212 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13423 [1,1,0,0,0,0|1,0,0]=3 213 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13424 [1,1,0,0,0,0|1,0,0]=3 214 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13425 [1,1,0,0,0,0|1,0,0]=3 215 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13446 [1,1,0,0,0,0|1,0,0]=3 216 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13447 [1,1,0,0,0,0|1,0,0]=3 217 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13448 [1,1,0,0,0,0|1,0,0]=3 218 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N12560 [1,1,0,0,0,0|1,0,0]=3 219 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13414 [1,1,0,0,0,0|1,0,0]=3 220 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13415 [1,1,0,0,0,0|1,0,0]=3 221 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13416 [1,1,0,0,0,0|1,0,0]=3 222 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13438 [1,1,0,0,0,0|1,0,0]=3 223 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13439 [1,1,0,0,0,0|1,0,0]=3 224 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13400 [1,1,0,0,0,0|1,0,0]=3 225 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13401 [1,1,0,0,0,0|1,0,0]=3 226 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13402 [1,1,0,0,0,0|1,0,0]=3 227 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13406 [1,1,0,0,0,0|1,0,0]=3 228 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13407 [1,1,0,0,0,0|1,0,0]=3 229 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13408 [1,1,0,0,0,0|1,0,0]=3 230 B11R1.22 NC[C@H](N)C1=CN=C(Br)C=C1 N14910 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.22 NC[C@H](N)C1=NC=C(Br)C=C1 N14909 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.22 NC[C@H](O)C1=CC=C(Br)C=C1 58433 [1,1,0,0,0,0|1,0,0]=3 233 B11R1.22 NC[C@H](O)C1=CC=C(F)C=C1 C78230 [1,1,0,0,0,0|1,0,0]=3 234 B11R1.22 N[C@@H](CF)C1=CC=C(Br)C=C1 N14615 [1,1,0,0,0,0|2,0,0]=4 235 B11R1.22 N[C@@H](CF)C1=CC=C(F)C=C1 N14614 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 N11131 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 F16864 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 F16884 [1,1,0,0,0,0|2,0,0]=4 239 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 N10530 [1,1,0,0,0,0|2,0,0]=4 240 B11R1.22 OC[C@H](O)C1=CC=C(Cl)C=C1 FD1217 [1,1,0,0,0,0|2,0,0]=4 241 B11R1.22 O[C@@H](CCl)C1=CC=C(Br)C=C1 58431 [1,1,0,0,0,0|2,0,0]=4 242 B11R1.23 CC1=CC=CC([C@@H](N)CN)=C1 N13429 [1,1,0,0,0,0|1,0,0]=3 243 B11R1.23 CC1=CC=CC([C@@H](N)CN)=C1 N13430 [1,1,0,0,0,0|1,0,0]=3 244 B11R1.23 CC1=CC=CC([C@@H](N)CN)=C1 N13431 [1,1,0,0,0,0|1,0,0]=3 245 B11R1.23 CC1=CC=CC([C@@H](N)CN)=C1 N13452 [1,1,0,0,0,0|1,0,0]=3 246 B11R1.23 CC1=CC=CC([C@@H](N)CN)=C1 N13453 [1,1,0,0,0,0|1,0,0]=3 247 B11R1.23 CC1=CC=CC([C@@H](N)CN)=C1 N13454 [1,1,0,0,0,0|1,0,0]=3 248 B11R1.23 CC1=CC=CC([C@@H](O)CN)=C1 C78286 [1,1,0,0,0,0|1,0,0]=3 249 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 34175 [1,1,0,0,0,0|1,0,1]=4 250 B11R1.23 CC[C@H](O)C1=CC(C)=CC=C1 N14416 [1,1,0,0,0,0|1,0,0]=3 251 B11R1.23 CC[C@H](O)C1=CC=CC(Br)=C1 N12527 [1,1,0,0,0,0|1,0,0]=3 252 B11R1.23 CC[C@H](O)C1=CC=CC(Cl)=C1 N12311 [1,1,0,0,0,0|1,0,0]=3 253 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 N12243 [1,1,0,0,0,0|0,0,0]=2 254 B11R1.23 NCC(=O)C1=CC(O)=CC=C1 C77908 [1,1,0,0,0,0|1,0,1]=4 255 B11R1.23 NC[C@H](N)C1=CC=CC(Br)=C1 N13420 [1,1,0,0,0,0|1,0,0]=3 256 B11R1.23 NC[C@H](N)C1=CC=CC(Br)=C1 N13421 [1,1,0,0,0,0|1,0,0]=3 257 B11R1.23 NC[C@H](N)C1=CC=CC(Br)=C1 N13422 [1,1,0,0,0,0|1,0,0]=3 258 B11R1.23 NC[C@H](N)C1=CC=CC(Br)=C1 N13443 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.23 NC[C@H](N)C1=CC=CC(Br)=C1 N13445 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.23 NC[C@H](N)C1=CC=CC(Cl)=C1 N13411 [1,1,0,0,0,0|1,0,0]=3 261 B11R1.23 NC[C@H](N)C1=CC=CC(Cl)=C1 N13412 [1,1,0,0,0,0|1,0,0]=3 262 B11R1.23 NC[C@H](N)C1=CC=CC(Cl)=C1 N13413 [1,1,0,0,0,0|1,0,0]=3 263 B11R1.23 NC[C@H](N)C1=CC=CC(Cl)=C1 N13435 [1,1,0,0,0,0|1,0,0]=3 264 B11R1.23 NC[C@H](N)C1=CC=CC(Cl)=C1 N13436 [1,1,0,0,0,0|1,0,0]=3 265 B11R1.23 NC[C@H](N)C1=CC=CC(Cl)=C1 N13437 [1,1,0,0,0,0|1,0,0]=3 266 B11R1.23 NC[C@H](N)C1=CC=CC(F)=C1 N13396 [1,1,0,0,0,0|1,0,0]=3 267 B11R1.23 NC[C@H](N)C1=CC=CC(F)=C1 N13397 [1,1,0,0,0,0|1,0,0]=3 268 B11R1.23 NC[C@H](N)C1=CC=CC(F)=C1 N13398 [1,1,0,0,0,0|1,0,0]=3 269 B11R1.23 NC[C@H](N)C1=CC=CC(F)=C1 N13399 [1,1,0,0,0,0|1,0,0]=3 270 B11R1.23 NC[C@H](N)C1=CC=CC(F)=C1 N13404 [1,1,0,0,0,0|1,0,0]=3 271 B11R1.23 NC[C@H](N)C1=CC=CC(F)=C1 N13405 [1,1,0,0,0,0|1,0,0]=3 272 B11R1.23 NC[C@H](O)C1=CC=CC(Br)=C1 58439 [1,1,0,0,0,0|1,0,0]=3 273 B11R1.23 NC[C@H](O)C1=CC=CC(Br)=C1 71528 [1,1,0,0,0,0|1,0,0]=3 274 B11R1.23 NC[C@H](O)C1=CC=CC(Br)=C1 92116 [1,1,0,0,0,0|1,0,0]=3 275 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 58428 [1,1,0,0,0,0|1,0,0]=3 276 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 C78287 [1,1,0,0,0,0|1,0,0]=3 277 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 D77208 [1,1,0,0,0,0|1,0,0]=3 278 B11R1.23 N[C@@H](CF)C1=CC=CC(Br)=C1 N14613 [1,1,0,0,0,0|2,0,0]=4 279 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 N12818 [1,1,0,0,0,0|2,0,0]=4 280 B11R1.23 O[C@@H](CCl)C1=CC=CC(Br)=C1 58437 [1,1,0,0,0,0|2,0,0]=4 281 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 58424 [1,1,0,0,0,0|2,0,0]=4 282 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 C72678 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.36 C=C(C1=CC=CC=C1)C(C)C W11468 [1,1,0,0,0,0|0,0,2]=4 284 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N15518 [1,1,0,0,0,0|1,0,1]=4 285 B11R1.36 CC(C)[C@H](N)C1=CC=CN=C1 74043 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 Y10672 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.36 CC(C)[C@H](O)C1=CN=CC=C1 AC2743 [1,1,0,0,0,0|2,0,0]=4 288 B11R1.36 CC(O)C(N)C1=CC=CC=C1 N11175 [1,1,0,0,0,0|1,0,0]=3 289 B11R1.36 CC(O)C(N)C1=CC=CC=C1 Y13368 [1,1,0,0,0,0|1,0,0]=3 290 B11R1.36 CC(O)[C@H](N)C1=CC=CC=C1 N15517 [1,1,0,0,0,0|1,0,0]=3 291 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N15522 [1,1,0,0,0,0|1,0,0]=3 292 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 F13376 [1,1,0,0,0,0|1,0,1]=4 293 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 N15519 [1,1,0,0,0,0|1,0,0]=3 294 B11R1.36 N[C@H](C1=CC=CC=C1)C(F)F 94363 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.36 O[C@H](C1=CC=CC=C1)C(F)F AT21493 [1,1,0,0,0,0|2,0,0]=4 296 B11R1.222 CC1=C([C@@H](N)CF)C=CC=C1 N14610 [1,1,0,0,0,0|2,0,0]=4 297 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13426 [1,1,0,0,0,0|1,0,0]=3 298 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13427 [1,1,0,0,0,0|1,0,0]=3 299 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13428 [1,1,0,0,0,0|1,0,0]=3 300 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13449 [1,1,0,0,0,0|1,0,0]=3 301 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13450 [1,1,0,0,0,0|1,0,0]=3 302 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13451 [1,1,0,0,0,0|1,0,0]=3 303 B11R1.222 CC1=C([C@@H](N)CO)C=CC=C1 N15069 [1,1,0,0,0,0|2,0,0]=4 304 B11R1.222 CC1=CC=CN=C1[C@@H](N)CN N14901 [1,1,0,0,0,0|2,0,0]=4 305 B11R1.222 CCC(=O)C1=C(Br)C=CC=C1 72058 [1,1,0,0,0,0|1,0,1]=4 306 B11R1.222 CC[C@H](C)C1=C(N)C=CC=C1 35361 [1,1,0,0,0,0|0,0,0]=2 307 B11R1.222 CC[C@H](N)C1=C(Br)C=CC=C1 N13015 [1,1,0,0,0,0|1,0,0]=3 308 B11R1.222 CC[C@H](N)C1=C(Cl)C=NC=C1 N14403 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13856 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13857 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13858 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13859 [1,1,0,0,0,0|2,0,0]=4 313 B11R1.222 CC[C@H](O)C1=C(Br)C=CC=C1 N12628 [1,1,0,0,0,0|1,0,0]=3 314 B11R1.222 CC[C@H](O)C1=C(C)C=CC=C1 N14414 [1,1,0,0,0,0|1,0,0]=3 315 B11R1.222 CC[C@H](O)C1=C(Cl)C=CC=C1 N14413 [1,1,0,0,0,0|1,0,0]=3 316 B11R1.222 CNC(=O)C1=C(I)C=CC=C1 E72599 [1,1,0,0,0,0|1,0,1]=4 317 B11R1.222 CN[C@@H](C)C1=C(Br)C=CC=C1 N12718 [1,1,0,0,0,0|0,0,0]=2 318 B11R1.222 CN[C@@H](C)C1=C(C)C=CC=C1 N12531 [1,1,0,0,0,0|0,0,0]=2 319 B11R1.222 CN[C@@H](C)C1=C(O)C=CC=C1 N12719 [1,1,0,0,0,0|0,0,0]=2 320 B11R1.222 NCC(=O)C1=C(Br)C=CC=C1 W17616 [1,1,0,0,0,0|1,0,1]=4 321 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13418 [1,1,0,0,0,0|1,0,0]=3 322 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13419 [1,1,0,0,0,0|1,0,0]=3 323 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13441 [1,1,0,0,0,0|1,0,0]=3 324 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13442 [1,1,0,0,0,0|1,0,0]=3 325 B11R1.222 NC[C@H](N)C1=C(Cl)C=CC=C1 N13403 [1,1,0,0,0,0|1,0,0]=3 326 B11R1.222 NC[C@H](N)C1=C(Cl)C=CC=C1 N13409 [1,1,0,0,0,0|1,0,0]=3 327 B11R1.222 NC[C@H](N)C1=C(Cl)C=CC=C1 N13410 [1,1,0,0,0,0|1,0,0]=3 328 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13390 [1,1,0,0,0,0|1,0,0]=3 329 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13391 [1,1,0,0,0,0|1,0,0]=3 330 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13392 [1,1,0,0,0,0|1,0,0]=3 331 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13393 [1,1,0,0,0,0|1,0,0]=3 332 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13394 [1,1,0,0,0,0|1,0,0]=3 333 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13395 [1,1,0,0,0,0|1,0,0]=3 334 B11R1.222 NC[C@H](O)C1=C(Br)C=CC=C1 71742 [1,1,0,0,0,0|1,0,0]=3 335 B11R1.222 NC[C@H](O)C1=C(F)C=CC=C1 C78140 [1,1,0,0,0,0|1,0,0]=3 336 B11R1.222 NC[C@H](O)C1=C(I)C=CC=C1 O10641 [1,1,0,0,0,0|1,0,0]=3 337 B11R1.222 N[C@@H](CF)C1=C(F)C=CC=C1 N14609 [1,1,0,0,0,0|2,0,0]=4 338 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 C77783 [1,1,0,0,0,0|2,0,0]=4 339 B11R1.222 N[C@@H](CO)C1=C(O)C=CC=C1 N15244 [1,1,0,0,0,0|2,0,0]=4 340 B11R1.222 N[C@@H](CO)C1=C(O)C=CC=C1 N15255 [1,1,0,0,0,0|2,0,0]=4 341 B11R1.1 CC1=CC=C(CCCN)C=C1 C78299 [1,1,0,0,0,0|2,0,0]=4 342 B11R1.1 CNCCC1=CC=C(Br)C=C1 C78422 [1,1,0,0,0,0|0,0,0]=2 343 B11R1.1 CNCCC1=CC=C(C)C=C1 C78074 [1,1,0,0,0,0|0,0,0]=2 344 B11R1.1 CNCCC1=NC=C(Br)C=N1 AT18381 [1,1,0,0,0,0|2,0,0]=4 345 B11R1.1 COCCC1=CC=C(Br)C=C1 28244 [1,1,0,0,0,0|1,0,0]=3 346 B11R1.1 COCCC1=CC=C(N)C=C1 F11764 [1,1,0,0,0,0|1,0,0]=3 347 B11R1.1 CONCC1=CC=C(Br)C=C1 N11596 [1,1,0,0,0,0|2,0,0]=4 348 B11R1.1 ClC1=CC=C(CCCBr)C=C1 S11935 [1,1,0,0,0,0|2,0,0]=4 349 B11R1.1 N#CCCC1=CC=C(O)C=C1 C15091 [1,1,0,0,0,0|2,0,0]=4 350 B11R1.1 NCCCC1=CC=C(N)C=C1 C78351 [1,1,0,0,0,0|2,0,0]=4 351 B11R1.17 BrCCCC1=C(Br)C=CC=C1 C77748 [1,1,0,0,0,0|2,0,0]=4 352 B11R1.17 CCCOC1=C(N)C=CC=C1 AC7746 [1,1,0,0,0,0|2,0,0]=4 353 B11R1.17 CCNCC1=C(Cl)C=CC=C1 C16114 [1,1,0,0,0,0|2,0,0]=4 354 B11R1.17 CNCCC1=C(C)C=CC=C1 C78447 [1,1,0,0,0,0|0,0,0]=2 355 B11R1.17 CNCCC1=C(Cl)C=CC=C1 C78279 [1,1,0,0,0,0|0,0,0]=2 356 B11R1.17 ClC1=C(CCCBr)C=CC=C1 C78298 [1,1,0,0,0,0|2,0,0]=4 357 B11R1.17 NCCCC1=C(Cl)C=CC=C1 C78000 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.17 NCCCC1=C(F)C=CC=C1 F20045 [1,1,0,0,0,0|2,0,0]=4 359 B11R1.24 BrCCCC1=CC=CC(Br)=C1 C77758 [1,1,0,0,0,0|2,0,0]=4 360 B11R1.24 CC1=CC=CC(CCC=O)=C1 C10532 [1,1,0,0,0,0|2,0,0]=4 361 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 C93515 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.24 CCOCC1=CC=CC(Br)=C1 F17773 [1,1,0,0,0,0|2,0,0]=4 363 B11R1.24 CNCCC1=CC=CC(Br)=C1 C78466 [1,1,0,0,0,0|0,0,0]=2 364 B11R1.24 COCCC1=CC(N)=NC=C1 AT18204 [1,1,0,0,0,0|2,0,0]=4 365 B11R1.24 ClC1=CC=CC(CCCBr)=C1 C78574 [1,1,0,0,0,0|2,0,0]=4 366 B11R1.24 N#CCCC1=CC=CC(F)=C1 97618 [1,1,0,0,0,0|2,0,0]=4 367 B11R1.24 NCCCC1=CC=CC(F)=C1 97619 [1,1,0,0,0,0|2,0,0]=4 368 B11R1.24 NCCCC1=CC=CC(N)=C1 C78147 [1,1,0,0,0,0|2,0,0]=4 369 B11R1.24 NCCCC1=CC=CC(O)=C1 C78310 [1,1,0,0,0,0|2,0,0]=4 370 B11R1.24 O=CCCC1=CC(O)=CC=C1 F19734 [1,1,0,0,0,0|2,0,0]=4 371 B11R1.24 [C-]#[N+]CCC1=CC=CC(F)=C1 50335 [1,1,0,0,0,0|0,0,2]=4 372 B11R1.28 CCCCNC1=CC=NC=C1 F21501 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.28 CCNCCC1=CC=CC=C1 AC5622 [1,1,0,0,0,0|0,0,0]=2 374 B11R1.28 NNCCOC1=CC=CC=C1 AC4849 [1,1,0,0,0,0|1,0,0]=3 375 B11R1.28 NOCCOC1=CC=CC=C1 AT21707 [1,1,0,0,0,0|2,0,0]=4 376 B11R1.28 OCCCCC1=CC=NC=C1 31475 [1,1,0,0,0,0|2,0,0]=4 377 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 74053 [1,1,0,0,0,0|1,0,0]=3 378 B11R1.40 CNC(=S)NC1=CC=CC=C1 T72207 [1,1,0,0,0,0|1,0,1]=4 379 B11R1.40 C[C@H](C=O)CC1=CC=CC=C1 F16111 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14383 [1,1,0,0,0,0|2,0,0]=4 381 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14384 [1,1,0,0,0,0|2,0,0]=4 382 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14385 [1,1,0,0,0,0|2,0,0]=4 383 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 C78372 [1,1,0,0,0,0|2,0,0]=4 384 B11R1.91 CC(=O)CCC1=CC=NC=C1 AT24518 [1,1,0,0,0,0|2,0,0]=4 385 B11R1.91 C[C@H](N)COC1=CC=CC=C1 N12753 [1,1,0,0,0,0|2,0,0]=4 386 B11R1.91 C[C@H](N)COC1=CC=CC=C1 N12763 [1,1,0,0,0,0|2,0,0]=4 387 B11R1.91 C[C@H](N)CSC1=CC=CC=C1 AT26670 [1,1,0,0,0,0|2,0,0]=4 388 B13R1.19 CCC[C@H](N)CC1=CC=C(C)C=C1 N14551 [0,1,0,0,0,1|2,0,0]=4 389 B13R1.19 CCC[C@H](N)CC1=CC=C(Cl)C=C1 N14548 [0,1,0,0,0,1|2,0,0]=4 390 B13R1.19 CCC[C@H](N)CC1=CC=C(F)C=C1 N14544 [0,1,0,0,0,1|2,0,0]=4 391 B13R1.20 CCC[C@H](N)CC1=CC(C)=CC=C1 N14537 [0,1,0,0,0,1|2,0,0]=4 392 B13R1.20 CCC[C@H](N)CC1=CC=CC(Br)=C1 N14533 [0,1,0,0,0,1|2,0,0]=4 393 B13R1.20 CCC[C@H](N)CC1=CC=CC(Cl)=C1 N14528 [0,1,0,0,0,1|2,0,0]=4 394 B13R1.20 CCC[C@H](N)CC1=CC=CC(F)=C1 N14525 [0,1,0,0,0,1|2,0,0]=4 395 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 53133 [0,1,0,0,0,1|1,0,0]=3 396 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 AT22332 [0,1,0,0,0,1|1,0,0]=3 397 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 C78125 [0,1,0,0,0,1|1,0,0]=3 398 B13R1.470 CCC[C@H](N)CC1=C(Br)C=CC=C1 N14511 [0,1,0,0,0,1|2,0,0]=4 399 B13R1.470 CCC[C@H](N)CC1=C(C)C=CC=C1 N14513 [0,1,0,0,0,1|2,0,0]=4 400 B13R1.470 CCC[C@H](N)CC1=C(Cl)C=CC=C1 N14501 [0,1,0,0,0,1|2,0,0]=4 401 B13R1.470 CCC[C@H](N)CC1=C(F)C=CC=C1 N14506 [0,1,0,0,0,1|2,0,0]=4 402 B13R1.1327 CC(C)(CC=O)SC1=CC=CC=C1 C13207 [0,1,0,0,0,1|2,0,0]=4 403 B13R1.1 CN[C@@H](COC)C1=CC=C(F)C=C1 N12972 [0,2,0,0,0,0|1,0,0]=3 404 B13R1.532 CN[C@@H](C(=O)OC)C1=CC=CC=C1 D74788 [0,2,0,0,0,0|1,0,1]=4 405 B13R1.532 COC(=O)[C@H](CN)C1=CC=CC=C1 F20097 [0,2,0,0,0,0|1,0,1]=4 406 B13R1.17 COCC[C@H](N)C1=CC=C(C)C=C1 N13831 [0,2,0,0,0,0|2,0,0]=4 407 B13R1.17 COCC[C@H](N)C1=CC=C(Cl)C=C1 N13828 [0,2,0,0,0,0|2,0,0]=4 408 B13R1.17 COCC[C@H](N)C1=CC=C(F)C=C1 N13797 [0,2,0,0,0,0|2,0,0]=4 409 B13R1.21 COC(=O)[C@H](C)C1=CC=C(Br)C=C1 D75716 [0,2,0,0,0,0|1,0,1]=4 410 B13R1.21 COC(=O)[C@H](C)C1=CC=C(Cl)C=C1 93622 [0,2,0,0,0,0|1,0,1]=4 411 B13R1.21 COC(=O)[C@H](C)C1=CC=C(O)C=C1 AC3345 [0,2,0,0,0,0|1,0,1]=4 412 B13R1.29 C#CC[C@](C)(O)C1=CC=C(Br)C=C1 AC6930 [0,2,0,0,0,0|1,0,1]=4 413 B13R1.29 C#CC[C@](C)(O)C1=CC=C(C)C=C1 AC6581 [0,2,0,0,0,0|1,0,1]=4 414 B13R1.29 C#CC[C@](C)(O)C1=CC=C(Cl)C=C1 AC6913 [0,2,0,0,0,0|1,0,1]=4 415 B13R1.29 C#CC[C@](C)(O)C1=CC=C(F)C=C1 AC6928 [0,2,0,0,0,0|1,0,1]=4 416 B13R1.132 CC(C)C[C@H](N)C1=CC=C(Cl)C=C1 N12881 [0,2,0,0,0,0|2,0,0]=4 417 B13R1.132 CC(C)C[C@H](N)C1=CC=C(Cl)C=C1 N14470 [0,2,0,0,0,0|2,0,0]=4 418 B13R1.132 CC1=CC=C([C@@H](N)CC(C)C)C=C1 N14476 [0,2,0,0,0,0|2,0,0]=4 419 B13R1.452 COC[C@H](N)C1=CC=C(C#N)C=C1 F16944 [0,2,0,0,0,0|2,0,0]=4 420 B13R1.466 CCC[C@H](N)C1=CC(C)=C(C)C=C1 N11171 [0,2,0,0,0,0|2,0,0]=4 421 B13R1.466 CCC[C@H](N)C1=CC(C)=C(F)C=C1 N11204 [0,2,0,0,0,0|2,0,0]=4 422 B13R1.466 CCC[C@H](N)C1=CC(F)=C(F)C=C1 N11161 [0,2,0,0,0,0|2,0,0]=4 423 B13R1.466 CNC[C@H](O)C1=CC(O)=C(O)C=C1 D95540 [0,2,0,0,0,0|1,0,0]=3 424 B13R1.466 COC[C@H](N)C1=CC(F)=C(F)C=C1 N13033 [0,2,0,0,0,0|2,0,0]=4 425 B13R1.1511 CCC[C@H](N)C1=C(C)C=C(C)C=C1 N11167 [0,2,0,0,0,0|2,0,0]=4 426 B13R1.1511 CCC[C@H](N)C1=C(F)C=C(F)C=C1 N11163 [0,2,0,0,0,0|2,0,0]=4 427 B13R1.12 CCC[C@H](N)C1=C(C)C(C)=CC=C1 N11289 [0,2,0,0,0,0|2,0,0]=4 428 B13R1.12 CCC[C@H](N)C1=CC=CC(F)=C1F N11378 [0,2,0,0,0,0|2,0,0]=4 429 B13R1.18 COCC[C@H](N)C1=CC(C)=CC=C1 N13830 [0,2,0,0,0,0|2,0,0]=4 430 B13R1.18 COCC[C@H](N)C1=CC=CC(Cl)=C1 N13827 [0,2,0,0,0,0|2,0,0]=4 431 B13R1.18 COCC[C@H](N)C1=CC=CC(F)=C1 N13796 [0,2,0,0,0,0|2,0,0]=4 432 B13R1.30 C#CC[C@](C)(O)C1=CC=CC(Cl)=C1 AC3864 [0,2,0,0,0,0|1,0,1]=4 433 B13R1.147 CC(C)C[C@H](N)C1=CC=CC(Br)=C1 N14471 [0,2,0,0,0,0|2,0,0]=4 434 B13R1.147 CC(C)C[C@H](N)C1=CC=CC(Cl)=C1 N14468 [0,2,0,0,0,0|2,0,0]=4 435 B13R1.147 CC(C)C[C@H](N)C1=CC=CC(Cl)=C1 N14469 [0,2,0,0,0,0|2,0,0]=4 436 B13R1.147 CC(C)C[C@H](N)C1=CC=CC(F)=C1 N14465 [0,2,0,0,0,0|2,0,0]=4 437 B13R1.147 CC1=CC=CC([C@@H](N)CC(C)C)=C1 N14475 [0,2,0,0,0,0|2,0,0]=4 438 B13R1.147 C[C@@H](CC(=O)O)C1=CC(O)=CC=C1 AC6266 [0,2,0,0,0,0|2,0,0]=4 439 B13R1.446 CCC[C@H](N)C1=C(F)C=CC(F)=C1 N11166 [0,2,0,0,0,0|2,0,0]=4 440 B13R1.446 COC[C@H](N)C1=C(C)C=CC(C)=C1 Y12175 [0,2,0,0,0,0|2,0,0]=4 441 B13R1.446 COC[C@H](N)C1=C(Cl)C=CC(Br)=C1 Y12853 [0,2,0,0,0,0|2,0,0]=4 442 B13R1.446 COC[C@H](N)C1=C(Cl)C=CC(Br)=C1 Y12901 [0,2,0,0,0,0|2,0,0]=4 443 B13R1.446 COC[C@H](N)C1=C(Cl)C=CC(Br)=C1 Y12924 [0,2,0,0,0,0|2,0,0]=4 444 B13R1.450 CCC[C@H](N)C1=CC(C)=CC(F)=C1 N11369 [0,2,0,0,0,0|2,0,0]=4 445 B13R1.450 CCC[C@H](N)C1=CC(Cl)=CC(Cl)=C1 N11380 [0,2,0,0,0,0|2,0,0]=4 446 B13R1.450 CCC[C@H](N)C1=CC(F)=CC(F)=C1 N11286 [0,2,0,0,0,0|2,0,0]=4 447 B13R1.460 COC[C@H](N)C1=CC=CC(OC)=C1 N12800 [0,2,0,0,0,0|2,0,0]=4 448 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 28085 [0,2,0,0,0,0|2,0,0]=4 449 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 75007 [0,2,0,0,0,0|2,0,0]=4 450 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 N12271 [0,2,0,0,0,0|2,0,0]=4 451 B13R1.24 C=CCCC[C@H](O)C1=CC=CC=C1 96854 [0,2,0,0,0,0|2,0,0]=4 452 B13R1.24 C=CCCN[C@@H](C)C1=CC=CC=C1 AC4750 [0,2,0,0,0,0|1,0,1]=4 453 B13R1.24 CCCCC[C@H](N)C1=CC=CC=C1 N12530 [0,2,0,0,0,0|2,0,0]=4 454 B13R1.45 CC(C)NCC(=O)C1=CC=CC=C1 76887 [0,2,0,0,0,0|1,0,1]=4 455 B13R1.674 COCC[C@H](N)C1=C(C)C=CC=C1 N13829 [0,2,0,0,0,0|2,0,0]=4 456 B13R1.674 COCC[C@H](N)C1=C(Cl)C=CC=C1 N13826 [0,2,0,0,0,0|2,0,0]=4 457 B13R1.674 COCC[C@H](N)C1=C(F)C=CC=C1 N13795 [0,2,0,0,0,0|2,0,0]=4 458 B13R1.708 COC(=O)[C@](C)(N)C1=CC=CC=C1 AC2385 [0,2,0,0,0,0|1,0,1]=4 459 B13R1.2819 C#CC[C@](C)(O)C1=C(C)C=CC=C1 AC3874 [0,2,0,0,0,0|1,0,1]=4 460 B13R1.2819 C#CC[C@](C)(O)C1=C(Cl)C=CC=C1 AC3857 [0,2,0,0,0,0|1,0,1]=4 461 B13R1.2819 C#CC[C@](C)(O)C1=C(F)C=CC=C1 AC3853 [0,2,0,0,0,0|1,0,1]=4 462 B13R1.201 CC(C)C[C@H](N)C1=C(Cl)C=CC=C1 N14466 [0,2,0,0,0,0|2,0,0]=4 463 B13R1.201 CC(C)C[C@H](N)C1=C(Cl)C=CC=C1 N14467 [0,2,0,0,0,0|2,0,0]=4 464 B13R1.201 CC(C)C[C@H](N)C1=C(F)C=CC=C1 N14464 [0,2,0,0,0,0|2,0,0]=4 465 B13R1.201 CC1=C([C@@H](N)CC(C)C)C=CC=C1 N14472 [0,2,0,0,0,0|2,0,0]=4 466 B13R1.201 CC1=C([C@@H](N)CC(C)C)C=CC=C1 N14473 [0,2,0,0,0,0|2,0,0]=4 467 B13R1.201 CC1=C([C@@H](N)CC(C)C)C=CC=C1 N14474 [0,2,0,0,0,0|2,0,0]=4 468 B13R1.464 CCC[C@H](N)C1=C(CO)C=CC=C1 Y13013 [0,2,0,0,0,0|2,0,0]=4 469 B11R2.1 C[C@@H]1NCC2=NC=NC=C21 82267 [1,0,0,1,0,0|2,0,0]=4 470 B11R2.1 C[C@H]1CNC2=C1C=CC=C2 W18948 [1,0,0,1,0,0|0,0,0]=2 471 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 41003 [1,0,0,1,0,0|1,0,0]=3 472 B11R2.1 N[C@H]1CCC2=CC=CN=C21 D81362 [1,0,0,1,0,0|2,0,0]=4 473 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79496 [1,0,0,1,0,0|2,0,0]=4 474 B11R2.1 N[C@H]1COC2=C1C=CC=C2 I11926 [1,0,0,1,0,0|2,0,0]=4 475 B11R2.1 O[C@H]1COC2=C1C=CC=C2 AT19563 [1,0,0,1,0,0|2,0,0]=4 476 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C14923 [1,0,0,1,0,0|0,0,0]=2 477 B11R2.40 NC1(C2=CC=NC=C2)CC1 28304 [1,0,0,1,0,0|2,0,0]=4 478 B11R2.40 NC1(C2=NC=CC=C2)CC1 80305 [1,0,0,1,0,0|2,0,0]=4 479 B11R2.40 NC1(C2=NC=CC=C2)CC1 80312 [1,0,0,1,0,0|2,0,0]=4 480 B11R2.239 C1=CC(C2CNC2)=NC=N1 74669 [1,0,0,1,0,0|2,0,0]=4 481 B11R2.239 C1=CC=C(C2CCC2)C=C1 F52090 [1,0,0,1,0,0|0,0,0]=2 482 B11R2.239 C1=CC=C([C@@H]2CCN2)C=C1 A50749 [1,0,0,1,0,0|0,0,0]=2 483 B11R2.239 C1=CN=C(C2CNC2)C=C1 F31095 [1,0,0,1,0,0|1,0,0]=3 484 B11R2.988 NC[C@H]1CC2=C1C=CC=C2 AT20374 [1,0,0,1,0,0|0,0,0]=2 485 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 67862 [1,0,0,1,0,0|1,0,0]=3 486 B11R2.20 C1=CN=C2CNCCC2=C1 P10652 [1,0,0,1,0,0|1,0,0]=3 487 B11R2.20 C1=NC=C2CCNCC2=N1 P19161 [1,0,0,1,0,0|2,0,0]=4 488 B13R2.15 O[C@H]1CNC[C@@H]1C2=CC=CC=C2 AT21595 [0,0,0,1,0,1|1,0,0]=3 489 B13R2.31 O=C1CC(OC2=CC=CC=C2)C1 P13019 [0,0,0,1,0,1|2,0,0]=4 490 B13R2.64 C1=CC(O[C@H]2CCNC2)=CC=N1 AB10388 [0,0,0,1,0,1|1,0,0]=3 491 B13R2.64 C1=CC(O[C@H]2CCNC2)=NC=N1 F50278 [0,0,0,1,0,1|2,0,0]=4 492 B13R2.64 C1=CC(O[C@H]2CCNC2)=NC=N1 F50346 [0,0,0,1,0,1|2,0,0]=4 493 B13R2.64 C1=CC=C(O[C@H]2CCNC2)C=C1 A10132 [0,0,0,1,0,1|0,0,0]=2 494 B13R2.64 C1=CN=C(O[C@H]2CCNC2)C=C1 C77811 [0,0,0,1,0,1|1,0,0]=3 495 B13R2.135 CN[C@@H]1C(=O)NC2=C1C=CC=C2 71829 [0,0,0,1,0,1|1,0,1]=4 496 B13R2.135 CN[C@@H]1C2=C(C=CC=C2)C[C@@H]1O F50027 [0,0,0,1,0,1|1,0,0]=3 497 B13R2.163 O=C1CNCC2=C(C=CC=C2)N1 D73440 [0,0,0,1,0,1|1,0,1]=4 498 B13R2.221 CC1(OC2=CC=CC=C2)CNC1 A50766 [0,0,0,1,0,1|0,0,0]=2 499 B13R2.221 NC1(CC2=CC=CC=C2)CCC1 59756 [0,0,0,1,0,1|2,0,0]=4 500 B13R2.221 NC1(CC2=CC=CC=C2)CCC1 F14473 [0,0,0,1,0,1|2,0,0]=4 501 B13R2.221 OC1(CC2=CC=CC=C2)CNC1 P19290 [0,0,0,1,0,1|1,0,0]=3 502 B13R2.328 N[C@H]1CC2=C(C=CC=C2)N(O)C1 W17569 [0,0,0,1,0,1|2,0,0]=4 503 B13R2.1 CNCC1=CNC2=C1C=CC=C2 71407 [0,1,0,1,0,0|0,0,2]=4 504 B13R2.3 C1=CC(C2CCNCC2)=CC=N1 F19968 [0,1,0,1,0,0|1,0,0]=3 505 B13R2.3 C1=CC(C2CCNCC2)=NC=N1 C90179 [0,1,0,1,0,0|2,0,0]=4 506 B13R2.3 C1=CC([C@@H]2CCCCN2)=CC=N1 F10482 [0,1,0,1,0,0|2,0,0]=4 507 B13R2.3 C1=CC([C@@H]2CNCCN2)=CC=N1 86652 [0,1,0,1,0,0|1,0,0]=3 508 B13R2.3 C1=CC([C@@H]2CNCCO2)=CC=N1 D85603 [0,1,0,1,0,0|1,0,0]=3 509 B13R2.3 C1=CC([C@@H]2COCCN2)=CN=C1 Y12230 [0,1,0,1,0,0|2,0,0]=4 510 B13R2.3 C1=CC([C@@H]2COCCN2)=CN=C1 Y12231 [0,1,0,1,0,0|2,0,0]=4 511 B13R2.3 C1=CC=C(N2CCNCC2)C=C1 C12583 [0,1,0,1,0,0|1,0,0]=3 512 B13R2.3 C1=CC=C([C@@H]2CC=CCC2)C=C1 T72524 [0,1,0,1,0,0|1,0,0]=3 513 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 AT22864 [0,1,0,1,0,0|1,0,0]=3 514 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 F18968 [0,1,0,1,0,0|0,0,0]=2 515 B13R2.3 C1=CC=C([C@@H]2CNCCS2)C=C1 74886 [0,1,0,1,0,0|0,0,0]=2 516 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 A50773 [0,1,0,1,0,0|1,0,0]=3 517 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 A50774 [0,1,0,1,0,0|1,0,0]=3 518 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 AR1466 [0,1,0,1,0,0|1,0,0]=3 519 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 AC8554 [0,1,0,1,0,0|0,0,0]=2 520 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 F20832 [0,1,0,1,0,0|0,0,0]=2 521 B13R2.3 C1=CN=C(C2CCNCC2)C=C1 C77433 [0,1,0,1,0,0|1,0,0]=3 522 B13R2.3 C1=CN=C(C2CCNCC2)C=C1 C77434 [0,1,0,1,0,0|1,0,0]=3 523 B13R2.3 C1=CN=C([C@@H]2CCCCN2)C=C1 N10817 [0,1,0,1,0,0|2,0,0]=4 524 B13R2.3 C1=CN=C([C@@H]2CCCCN2)C=C1 Y11624 [0,1,0,1,0,0|2,0,0]=4 525 B13R2.3 C1=CN=C([C@@H]2CNCCN2)C=C1 86651 [0,1,0,1,0,0|1,0,0]=3 526 B13R2.3 C1=CN=C([C@H]2CCCNC2)C=C1 98580 [0,1,0,1,0,0|1,0,0]=3 527 B13R2.3 C1=CN=C([C@H]2CCCNC2)C=C1 98581 [0,1,0,1,0,0|1,0,0]=3 528 B13R2.3 C1=CN=CC(C2CCNCC2)=C1 C14989 [0,1,0,1,0,0|1,0,0]=3 529 B13R2.3 C1=CN=CC([C@@H]2CCCCN2)=C1 86815 [0,1,0,1,0,0|2,0,0]=4 530 B13R2.3 C1=CN=CC([C@@H]2CCCCN2)=C1 N10432 [0,1,0,1,0,0|2,0,0]=4 531 B13R2.10 CC1CNC(C2=CC=CC=C2)C1 AT22579 [0,1,0,1,0,0|1,0,0]=3 532 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 C15346 [0,1,0,1,0,0|2,0,0]=4 533 B13R2.10 OC1COC(C2=CC=CC=C2)C1 AT10452 [0,1,0,1,0,0|2,0,0]=4 534 B13R2.1613 CC[C@@H]1NCCC2=C1C=CC=C2 AT22655 [0,1,0,1,0,0|2,0,0]=4 535 B13R2.1613 NC[C@@H]1NCCC2=C1C=CC=C2 86157 [0,1,0,1,0,0|2,0,0]=4 536 B13R2.1613 NC[C@H]1CCCC2=C1C=CC=C2 AC7012 [0,1,0,1,0,0|1,0,0]=3 537 B13R2.1613 NC[C@H]1CCNC2=C1C=CC=C2 W15001 [0,1,0,1,0,0|2,0,0]=4 538 B13R2.2539 O=CC1(C2=CC=CC=C2)CCC1 A11315 [0,1,0,1,0,0|1,0,1]=4 539 B13R2.12 FC1=CC=C([C@H]2CCNC2)C=C1 65719 [0,1,0,1,0,0|0,0,0]=2 540 B13R2.12 NC1=CC=C([C@H]2CCNC2)C=C1 N14869 [0,1,0,1,0,0|0,0,0]=2 541 B13R2.12 OC1=CC=C([C@@H]2CCCN2)C=C1 N11133 [0,1,0,1,0,0|2,0,0]=4 542 B13R2.12 OC1=CC=C([C@@H]2CCCN2)C=C1 N11442 [0,1,0,1,0,0|2,0,0]=4 543 B13R2.147 NC1CC(C2=CC=C(Br)C=C2)C1 F53252 [0,1,0,1,0,0|2,0,0]=4 544 B13R2.147 NC1CC(C2=CC=C(Br)C=C2)C1 F53253 [0,1,0,1,0,0|2,0,0]=4 545 B13R2.147 NC1CC(C2=CC=C(F)C=C2)C1 F53254 [0,1,0,1,0,0|2,0,0]=4 546 B13R2.147 NC1CC(C2=CC=C(F)C=C2)C1 F53309 [0,1,0,1,0,0|2,0,0]=4 547 B13R2.147 O=C1CC(C2=CC=C(F)C=C2)C1 91860 [0,1,0,1,0,0|2,0,0]=4 548 B13R2.147 O[C@H]1C[C@H](C2=CC=C(F)C=C2)C1 91836 [0,1,0,1,0,0|2,0,0]=4 549 B13R2.520 CC1=CC=C([C@@H](O)C2CC2)C=C1 N14720 [0,1,0,1,0,0|2,0,0]=4 550 B13R2.520 O[C@H](C1=CC=C(Br)C=C1)C2CC2 54680 [0,1,0,1,0,0|2,0,0]=4 551 B13R2.2986 FC1(C2=CC=C(Br)C=C2)CCC1 F30247 [0,1,0,1,0,0|2,0,0]=4 552 B13R2.2986 FC1(C2=CC=C(Br)C=C2)CNC1 AT12565 [0,1,0,1,0,0|1,0,0]=3 553 B13R2.2986 NC1(C2=CC=C(Br)C=C2)CCC1 28204 [0,1,0,1,0,0|2,0,0]=4 554 B13R2.2986 NC1(C2=CC=C(Br)C=C2)CNC1 AC4062 [0,1,0,1,0,0|1,0,0]=3 555 B13R2.2986 NC1(C2=CC=C(Cl)C=C2)CCC1 28199 [0,1,0,1,0,0|2,0,0]=4 556 B13R2.2986 NC1(C2=CC=C(Cl)C=C2)CCC1 69087 [0,1,0,1,0,0|2,0,0]=4 557 B13R2.2986 NC1(C2=CC=C(F)C=C2)CCC1 69085 [0,1,0,1,0,0|2,0,0]=4 558 B13R2.2986 NC1(C2=CC=C(F)C=C2)CCC1 AC7266 [0,1,0,1,0,0|2,0,0]=4 559 B13R2.2986 OC1(C2=CC=C(Br)C=C2)CNC1 AT12563 [0,1,0,1,0,0|1,0,0]=3 560 B13R2.2986 OC1(C2=CC=C(F)C=C2)CNC1 C90252 [0,1,0,1,0,0|1,0,0]=3 561 B13R2.2986 OC1(C2=CC=C(F)C=C2)CNC1 C90253 [0,1,0,1,0,0|1,0,0]=3 562 B13R2.2986 OC1(C2=CC=C(F)C=C2)CNC1 F53371 [0,1,0,1,0,0|1,0,0]=3 563 B13R2.5179 C[C@@H]1NCCC2=C1C=CC(F)=C2 AT19619 [0,1,0,1,0,0|2,0,0]=4 564 B13R2.5179 C[C@@H]1NCCC2=C1C=CC(F)=C2 AT19620 [0,1,0,1,0,0|2,0,0]=4 565 B13R2.5179 NC1=CC2=C(C=C1)[C@@H](O)CCC2 S11524 [0,1,0,1,0,0|2,0,0]=4 566 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 N12720 [0,1,0,1,0,0|2,0,0]=4 567 B13R2.5179 N[C@H]1CCCC2=C1C=CC(I)=C2 W15956 [0,1,0,1,0,0|2,0,0]=4 568 B13R2.5179 N[C@H]1CCCC2=C1C=CC(O)=C2 N13166 [0,1,0,1,0,0|2,0,0]=4 569 B13R2.5179 N[C@H]1COCC2=C1C=CC(Cl)=C2 D79931 [0,1,0,1,0,0|2,0,0]=4 570 B13R2.5179 N[C@H]1COCC2=C1C=CC(Cl)=C2 D79932 [0,1,0,1,0,0|2,0,0]=4 571 B13R2.5179 O[C@H]1CCCC2=C1C=CC(Cl)=C2 N14446 [0,1,0,1,0,0|2,0,0]=4 572 B13R2.5187 CC1=CN(C)C2=C1C=CC(Br)=C2 D87087 [0,1,0,1,0,0|0,0,2]=4 573 B13R2.13 CC1=CC=CC([C@H]2CCNC2)=C1 N11129 [0,1,0,1,0,0|0,0,0]=2 574 B13R2.13 ClC1=CC([C@H]2CCNC2)=CC=C1 65735 [0,1,0,1,0,0|0,0,0]=2 575 B13R2.13 ClC1=CC([C@H]2CCNC2)=CC=C1 65737 [0,1,0,1,0,0|0,0,0]=2 576 B13R2.13 ClC1=CC([C@H]2CCNC2)=CC=C1 65767 [0,1,0,1,0,0|0,0,0]=2 577 B13R2.13 ClC1=CC([C@H]2CCNC2)=CC=C1 N10839 [0,1,0,1,0,0|0,0,0]=2 578 B13R2.13 FC1=CC([C@H]2CCNC2)=CC=C1 65739 [0,1,0,1,0,0|0,0,0]=2 579 B13R2.13 FC1=CC([C@H]2CCNC2)=CC=C1 65741 [0,1,0,1,0,0|0,0,0]=2 580 B13R2.13 FC1=CC([C@H]2CCNC2)=CC=C1 N11081 [0,1,0,1,0,0|0,0,0]=2 581 B13R2.13 FC1=CN=CC([C@H]2CCNC2)=C1 C93388 [0,1,0,1,0,0|1,0,0]=3 582 B13R2.13 NC1=CC=CC([C@@H]2CCCN2)=C1 N14348 [0,1,0,1,0,0|2,0,0]=4 583 B13R2.13 OC1=CC([C@@H]2CCCN2)=CC=C1 I11612 [0,1,0,1,0,0|2,0,0]=4 584 B13R2.151 O=C1CC(C2=CC=CC(F)=C2)C1 91864 [0,1,0,1,0,0|2,0,0]=4 585 B13R2.151 O[C@H]1C[C@H](C2=CC=CC(Br)=C2)C1 91840 [0,1,0,1,0,0|2,0,0]=4 586 B13R2.151 O[C@H]1C[C@H](C2=CC=CC(F)=C2)C1 91841 [0,1,0,1,0,0|2,0,0]=4 587 B13R2.162 N[C@H]1CCCC2=C1C=C(F)C=C2 N11009 [0,1,0,1,0,0|2,0,0]=4 588 B13R2.162 N[C@H]1CCCC2=C1C=C(F)C=C2 N11074 [0,1,0,1,0,0|2,0,0]=4 589 B13R2.162 N[C@H]1CCCC2=C1C=C(F)C=C2 N13129 [0,1,0,1,0,0|2,0,0]=4 590 B13R2.162 N[C@H]1CSCC2=C1C=C(Br)C=C2 SC2421 [0,1,0,1,0,0|2,0,0]=4 591 B13R2.162 OC1=CC2=C(C=C1)CNC[C@@H]2O C16747 [0,1,0,1,0,0|1,0,0]=3 592 B13R2.162 O[C@H]1CCCC2=C1C=C(Cl)C=C2 N13025 [0,1,0,1,0,0|2,0,0]=4 593 B13R2.162 O[C@H]1CCCC2=C1C=C(F)C=C2 N14444 [0,1,0,1,0,0|2,0,0]=4 594 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 F16889 [0,1,0,1,0,0|2,0,0]=4 595 B13R2.342 N[C@H]1CCCC2=C(Cl)C=CC=C21 I10729 [0,1,0,1,0,0|2,0,0]=4 596 B13R2.342 N[C@H]1CCCC2=C(O)C=CC=C21 N12814 [0,1,0,1,0,0|2,0,0]=4 597 B13R2.342 O[C@H]1CCCC2=C(Cl)C=CC=C21 N14445 [0,1,0,1,0,0|2,0,0]=4 598 B13R2.342 O[C@H]1CCCC2=C(F)C=CC=C21 E72763 [0,1,0,1,0,0|2,0,0]=4 599 B13R2.3018 CC1=CC=CC(C2(N)COC2)=C1 59772 [0,1,0,1,0,0|2,0,0]=4 600 B13R2.3018 NC1(C2=CC=CC(Cl)=C2)CNC1 59781 [0,1,0,1,0,0|1,0,0]=3 601 B13R2.3018 NC1(C2=CC=CC(F)=C2)CCC1 28206 [0,1,0,1,0,0|2,0,0]=4 602 B13R2.3018 NC1(C2=CC=CC(F)=C2)CCC1 69061 [0,1,0,1,0,0|2,0,0]=4 603 B13R2.3018 OC1(C2=CC=CC(Br)=C2)CNC1 AT12573 [0,1,0,1,0,0|1,0,0]=3 604 B13R2.52 CNC1CC(C2=CC=CN=C2)C1 F53680 [0,1,0,1,0,0|1,0,0]=3 605 B13R2.52 CNC1CC(C2=CC=NC=C2)C1 F53670 [0,1,0,1,0,0|1,0,0]=3 606 B13R2.223 NC1(C2=CC=CN=C2)CCCC1 F30930 [0,1,0,1,0,0|2,0,0]=4 607 B13R2.223 NC1(C2=NC=CC=C2)CCCC1 F30929 [0,1,0,1,0,0|2,0,0]=4 608 B13R2.223 N[C@@]1(C2=CC=CC=C2)CCOC1 C91583 [0,1,0,1,0,0|1,0,0]=3 609 B13R2.223 O[C@@]1(C2=CC=CC=C2)CCNC1 C77915 [0,1,0,1,0,0|0,0,0]=2 610 B13R2.223 O[C@@]1(C2=CN=CC=C2)CCNC1 C93394 [0,1,0,1,0,0|1,0,0]=3 611 B13R2.371 CN1CCC(=O)C2=C1C=CC=C2 93242 [0,1,0,1,0,0|1,0,1]=4 612 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 FD10505 [0,1,0,1,0,0|2,0,0]=4 613 B13R2.8137 N[C@H](C1=CC=CC=C1)C2COC2 98585 [0,1,0,1,0,0|2,0,0]=4 614 B13R2.8137 N[C@H](C1=CC=CC=C1)C2COC2 98586 [0,1,0,1,0,0|2,0,0]=4 615 B13R2.8137 O=C(C1=CC=CC=C1)C2CNC2 P14545 [0,1,0,1,0,0|1,0,1]=4 616 B13R2.8137 O[C@H](C1=CC=CC=C1)C2CCC2 AT10653 [0,1,0,1,0,0|2,0,0]=4 617 B13R2.32 N[C@@H]1C(=O)NCC2=C1C=CC=C2 C14948 [0,1,0,1,0,0|1,0,1]=4 618 B13R2.3085 CN1C(=O)[C@@H](N)C2=C1C=CC=C2 W10171 [0,1,0,1,0,0|1,0,1]=4 619 B13R2.238 CC1CC(N)(C2=CC=CC=C2)C1 92973 [0,1,0,1,0,0|1,0,0]=3 620 B13R2.3122 CC1(C)CCNC2=C1C=CC=C2 86979 [0,1,0,1,0,0|2,0,0]=4 621 B13R2.3122 CC1(C)CCSC2=C1C=CC=C2 82057 [0,1,0,1,0,0|2,0,0]=4 622 B13R2.12159 CC1(C)C[C@H](N)C2=C1C=CC=C2 AT19561 [0,1,0,1,0,0|2,0,0]=4 623 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 P18907 [0,1,0,1,0,0|2,0,0]=4 624 B13R2.423 O=[N+]([O-])[C@H]1CC1C2=CC=CC=C2 P14853 [0,1,0,1,0,0|1,0,1]=4 625 B13R2.18 BrC1=C(N2CCCC2)C=CC=C1 AC7051 [0,1,0,1,0,0|2,0,0]=4 626 B13R2.18 CC1=C([C@H]2CCNC2)C=CC=C1 N10930 [0,1,0,1,0,0|0,0,0]=2 627 B13R2.18 ClC1=C([C@@H]2CCCN2)C=CC=C1 N12754 [0,1,0,1,0,0|2,0,0]=4 628 B13R2.18 ClC1=C([C@H]2CCNC2)C=CC=C1 83033 [0,1,0,1,0,0|0,0,0]=2 629 B13R2.18 FC1=C([C@H]2CCNC2)C=CC=C1 65751 [0,1,0,1,0,0|0,0,0]=2 630 B13R2.18 FC1=C([C@H]2CCNC2)C=CC=C1 65753 [0,1,0,1,0,0|0,0,0]=2 631 B13R2.18 FC1=C([C@H]2CCNC2)C=CC=C1 65780 [0,1,0,1,0,0|0,0,0]=2 632 B13R2.18 FC1=C([C@H]2CCNC2)C=CC=C1 N10834 [0,1,0,1,0,0|0,0,0]=2 633 B13R2.18 NC1=C(N2CCCC2)C=CC=C1 C78056 [0,1,0,1,0,0|2,0,0]=4 634 B13R2.18 NC1=C([C@H]2CCNC2)C=CC=C1 N14871 [0,1,0,1,0,0|0,0,0]=2 635 B13R2.18 OC1=C([C@@H]2CCCN2)C=CC=C1 I11883 [0,1,0,1,0,0|2,0,0]=4 636 B13R2.216 O=C1CC(C2=C(Cl)C=CC=C2)C1 AC2850 [0,1,0,1,0,0|2,0,0]=4 637 B13R2.3097 N[C@H](C1=C(F)C=CC=C1)C2CC2 Y13769 [0,1,0,1,0,0|2,0,0]=4 638 B13R2.3569 NC1(C2=C(Br)C=CC=C2)CCC1 69043 [0,1,0,1,0,0|2,0,0]=4 639 B13R2.3569 NC1(C2=C(Br)C=CC=C2)CCC1 AC3286 [0,1,0,1,0,0|2,0,0]=4 640 B13R2.3569 NC1(C2=C(F)C=CC=C2)CCC1 28201 [0,1,0,1,0,0|2,0,0]=4 641 B13R2.3569 NC1(C2=C(F)C=CC=C2)CCC1 69069 [0,1,0,1,0,0|2,0,0]=4 642 B13R2.4818 CN1CCCC2=CC=CC(O)=C21 P11599 [0,1,0,1,0,0|2,0,0]=4 643 B13R3.1962 C1=CC2=C(C=C1)C3CCC2N3 C11347 [0,0,0,2,0,0|2,0,0]=4 644 B9R1.11 CC[C@H](N)C1=COC=C1 N16720 [1,0,0,0,1,0|2,0,0]=4 645 B9R1.11 CC[C@H](N)C1=COC=C1 N16721 [1,0,0,0,1,0|2,0,0]=4 646 B9R1.11 CC[C@H](N)C1=COC=C1 N16722 [1,0,0,0,1,0|2,0,0]=4 647 B9R1.11 CN[C@@H](C)C1=CSC=N1 F14265 [1,0,0,0,1,0|2,0,0]=4 648 B9R1.11 CN[C@@H](C)C1=NC=CS1 AT10975 [1,0,0,0,1,0|2,0,0]=4 649 B9R1.11 CN[C@@H](C)C1=NOC=C1 AT10964 [1,0,0,0,1,0|2,0,0]=4 650 B9R1.12 CNCCC1=CC=CS1 AT16732 [1,0,0,0,1,0|1,0,0]=3 651 B9R1.12 CNCCC1=CN=CN1 D86292 [1,0,0,0,1,0|2,0,0]=4 652 B13R1.42 CCC[C@H](O)CCC1=CC=CC=C1 F19746 [0,0,0,0,0,2|2,0,0]=4