0 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 P51547 [1,0,0,0,0,0|2,0,1]=4 1 B11R1.40 CC(C#N)NC1=CC=CC=C1 M15456 [1,0,0,0,0,0|3,0,0]=4 2 B11R1.40 CC(CN)OC1=CC=CC=C1 P36860 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.40 CCC(Br)CC1=CC=NC=C1 Q58440 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.40 CCC(N)CC1=CC=CC=C1 P38928 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.40 CCC(O)CC1=CC=NC=C1 Q58397 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.40 COC(=O)CC1=CC=CN=C1 P38302 [1,0,0,0,0,0|1,0,2]=4 7 B11R1.40 NC(CO)CC1=CC=CC=C1 P36941 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.146 CCN(CC)CC1=CC=CC(Br)=C1 Q67884 [0,1,0,0,0,0|3,0,0]=4 9 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O P39307 [0,1,0,0,0,0|3,0,0]=4 10 B13R1.418 CN[C@H](CC1=CC=CC=C1)C(=O)O P37373 [0,1,0,0,0,0|3,0,0]=4 11 B13R2.57 OCC1CC2=C(C=CC=C2)CN1 P36953 [0,0,0,1,0,0|3,0,0]=4 12 B13R2.57 OCC1CC2=CC=CC=C2CO1 L20438 [0,0,0,1,0,0|2,0,0]=3 13 B13R2.64 C1=CC=C(CC2CCCN2)C=C1 O28725 [0,0,0,1,0,0|2,0,0]=3 14 B13R2.64 C1=CC=C(CC2CCNC2)C=C1 O28255 [0,0,0,1,0,0|3,0,0]=4 15 B13R2.64 C1=CC=C(C[C@@H]2CCCN2)C=C1 P34775 [0,0,0,1,0,0|2,0,0]=3 16 B13R2.64 C1=CC=C(C[C@H]2CCCN2)C=C1 M23194 [0,0,0,1,0,0|2,0,0]=3 17 B13R2.101 C#CC1(CC2=CC=CC=C2)CC1 L21767 [0,0,0,1,0,0|2,0,1]=4 18 B11R1.12 COC(OC)C1=NC=NC=C1 O31202 [0,0,0,0,1,0|2,0,0]=3 19 B10R1.17 CCCCC1=CC=NC=C1 O30545 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.17 CNCCC1=CC=CC=C1 P37213 [2,0,0,0,0,0|1,0,0]=3 21 B10R1.17 CNCCC1=CC=NC=C1 P37446 [2,0,0,0,0,0|2,0,0]=4 22 B10R1.17 CNCCC1=NC=CC=C1 P40087 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.17 ICCCC1=CC=CC=C1 P38180 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.18 CC(C)OC1=NC=CC=C1 N24110 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.32 CN(CCN)CC1=CC=CC=C1 P41340 [1,1,0,0,0,0|2,0,0]=4 26 B12R1.32 CONC(C)CC1=CC=CC=C1 O31441 [1,1,0,0,0,0|0,0,0]=2 27 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 P38441 [1,1,0,0,0,0|0,0,2]=4 28 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 P39469 [1,1,0,0,0,0|0,0,2]=4 29 B12R1.50 COC(=O)CC1=CC=CC(I)=C1 M22875 [1,1,0,0,0,0|0,0,2]=4 30 B12R1.50 COC(=O)CC1=CC=CC(O)=C1 P38153 [1,1,0,0,0,0|0,0,2]=4 31 B12R1.194 C#CC(C)(C)CC1=CC=CC=C1 L21351 [1,1,0,0,0,0|1,0,1]=4 32 B12R1.194 C[C@@](N)(CO)CC1=CC=CC=C1 10161 [1,1,0,0,0,0|2,0,0]=4 33 B12R1.371 COC(=O)CC1=CC=CC=C1C P38193 [1,1,0,0,0,0|0,0,2]=4 34 B12R1.371 COC(=O)CC1=CC=CC=C1I M23155 [1,1,0,0,0,0|0,0,2]=4 35 B12R1.371 COC(=O)CC1=CC=CC=C1O P39566 [1,1,0,0,0,0|0,0,2]=4 36 B12R1.12 CCC(CC)C1=CC=C(N)C=C1 O30912 [0,1,0,0,1,0|2,0,0]=4 37 B12R1.13 COC(C#N)C1=CC(F)=CC=C1 L19078 [0,1,0,0,1,0|2,0,0]=4 38 B12R1.13 COC(OC)C1=CC=NC(N)=C1 G-5839 [0,1,0,0,1,0|1,0,0]=3 39 B12R1.475 CCC(C)(CC)C1=CC=CC=C1 P43341 [0,1,0,0,1,0|2,0,0]=4 40 B14R1.494 CCOC(CC1=CC=CC=C1)OCC L21218 [0,2,0,0,0,0|0,0,0]=2 41 B14R1.1031 CN[C@@H](CC1=CC=CC=C1)C(=O)OC P40118 [0,2,0,0,0,0|1,0,0]=3 42 B14R1.1031 COC(=O)[C@H](CN)CC1=CC=CC=C1 Q69025 [0,2,0,0,0,0|2,0,0]=4 43 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O I-9168 [1,0,0,1,0,0|2,0,0]=4 44 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O G-6897 [1,0,0,1,0,0|2,0,0]=4 45 B12R2.24 OC1CNC2=C(C=CC=C2)C1 O33538 [1,0,0,1,0,0|2,0,0]=4 46 B12R2.24 O[C@@H]1CCC2=C(C=CC=C2)C1 Q69508 [1,0,0,1,0,0|1,0,0]=3 47 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 O33190 [1,0,0,1,0,0|2,0,0]=4 48 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 O32386 [1,0,0,1,0,0|1,0,0]=3 49 B12R2.24 O[C@H]1CNC2=C(C=CC=C2)C1 O33189 [1,0,0,1,0,0|2,0,0]=4 50 B12R2.27 N#CC1CC1C2=CC=CC=C2 P43268 [1,0,0,1,0,0|2,0,0]=4 51 B12R2.27 N#C[C@@H]1C[C@H]1C2=CC=CC=C2 M15885 [1,0,0,1,0,0|2,0,0]=4 52 B12R2.27 NCC1CC1C2=CC=CC=C2 L19913 [1,0,0,1,0,0|2,0,0]=4 53 B12R2.27 O=CC1CC1C2=CC=CC=C2 L20873 [1,0,0,1,0,0|2,0,0]=4 54 B12R2.27 OCC1CC1C2=CC=CC=C2 P51570 [1,0,0,1,0,0|2,0,0]=4 55 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 M22647 [1,0,0,1,0,0|2,0,0]=4 56 B12R2.2058 C1=CC=C(CN2CCC2)C=C1 P45197 [1,0,0,1,0,0|2,0,0]=4 57 B12R2.2 C1=CC=C(C2CCCN2)C=C1 Q55561 [0,0,0,1,1,0|2,0,0]=4 58 B12R2.2 C1=CC=C(C2CCCO2)C=C1 G-5955 [0,0,0,1,1,0|1,0,0]=3 59 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 10698 [0,0,0,1,1,0|2,0,0]=4 60 B14R2.101 C1=CC=C(CNC2CCCC2)C=C1 P41022 [0,0,0,1,0,1|2,0,0]=4 61 B14R2.101 C1=CC=C(OCC2CCCN2)C=C1 P41119 [0,0,0,1,0,1|2,0,0]=4 62 B14R2.101 C1=CC=C(OC[C@@H]2CCCN2)C=C1 P40526 [0,0,0,1,0,1|2,0,0]=4 63 B14R2.101 C1=CC=C(OC[C@H]2CCCN2)C=C1 P41725 [0,0,0,1,0,1|2,0,0]=4 64 B14R2.6 C1=CC=C(CC2CCCNC2)C=C1 O28751 [0,1,0,1,0,0|2,0,0]=4 65 B14R2.6 C1=CC=C(CC2CNCCN2)C=C1 P35853 [0,1,0,1,0,0|2,0,0]=4 66 B14R2.6 C1=CC=C(CC2CNCCO2)C=C1 B-1075 [0,1,0,1,0,0|1,0,0]=3 67 B14R2.6 C1=CC=C(CC2COCCN2)C=C1 B-1090 [0,1,0,1,0,0|1,0,0]=3 68 B14R2.6 C1=CC=C(CC2COCCN2)C=C1 O28285 [0,1,0,1,0,0|1,0,0]=3 69 B14R2.6 C1=CC=C(C[C@@H]2CNCCN2)C=C1 P41729 [0,1,0,1,0,0|2,0,0]=4 70 B14R2.6 C1=CC=C(C[C@@H]2CNCCO2)C=C1 B-1077 [0,1,0,1,0,0|1,0,0]=3 71 B14R2.6 C1=CC=C(C[C@@H]2COCCN2)C=C1 B-1091 [0,1,0,1,0,0|1,0,0]=3 72 B14R2.6 C1=CC=C(C[C@H]2CNCCN2)C=C1 P39857 [0,1,0,1,0,0|2,0,0]=4 73 B14R2.6 C1=CC=C(C[C@H]2CNCCO2)C=C1 B-1076 [0,1,0,1,0,0|1,0,0]=3 74 B14R2.6 C1=CC=C(C[C@H]2COCCN2)C=C1 B-1092 [0,1,0,1,0,0|1,0,0]=3 75 B14R2.112 CNCC1CC2=CC=CC=C2CO1 L20364 [0,1,0,1,0,0|1,0,0]=3 76 B14R2.114 NC(C1=CC=CC=C1)C2CCCC2 P39494 [0,1,0,1,0,0|2,0,0]=4 77 B10R1.15 CCC(N)C1=CC=CC=C1 P39015 [1,0,0,0,1,0|2,0,0]=4 78 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 P40939 [1,0,0,0,1,0|1,0,0]=3 79 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 P40176 [1,0,0,0,1,0|1,0,0]=3 80 B10R1.15 CN[C@H](C)C1=CC=CC=C1 P37197 [1,0,0,0,1,0|1,0,0]=3 81 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 P43243 [1,0,0,0,1,0|2,0,0]=4 82 B10R1.15 NC[C@H](O)C1=CC=CC=C1 P43317 [1,0,0,0,1,0|2,0,0]=4 83 B12R1.27 C#CC(O)CCC1=CC=CC=C1 L19306 [1,0,0,0,0,1|1,0,1]=4 84 B12R1.27 CC(CO)NCC1=CC=CC=C1 Q66178 [1,0,0,0,0,1|2,0,0]=4 85 B12R1.27 CC(CO)OCC1=CC=CC=C1 P36528 [1,0,0,0,0,1|2,0,0]=4 86 B12R1.27 COC(=O)CNC1=CC=CC=C1 P39503 [1,0,0,0,0,1|0,0,2]=4 87 B12R1.27 COC(=O)NCC1=CC=CC=C1 O34236 [1,0,0,0,0,1|0,0,2]=4 88 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 O31764 [1,0,0,0,0,1|2,0,0]=4 89 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 10174 [1,0,0,0,0,1|2,0,0]=4 90 B12R1.27 OC(CCl)COC1=CC=CC=C1 O34043 [1,0,0,0,0,1|2,0,0]=4