0 B12R1.118 CNC(CO)CC1=CC=CC=C1 M7684 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.118 CNC(CO)CC1=CC=CC=C1 M9105 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 A2030 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P5891 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P5891 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.145 COC(CC1=CC=C(O)C=C1)OC D15713 [0,1,0,0,0,0|0,0,0]=1 6 B13R2.57 OC[C@H]1CC2=C(C=CC=C2)CN1 T7590 [0,0,0,1,0,0|3,0,0]=4 7 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 T5556 [0,0,0,1,0,0|2,0,1]=4 8 B13R2.64 C1=CC=C(CC2CCCN2)C=C1 B15290 [0,0,0,1,0,0|2,0,0]=3 9 B13R2.64 C1=CC=C(NC2CCCC2)C=C1 C17012 [0,0,0,1,0,0|3,0,0]=4 10 B11R1.12 CCC(C#N)C1=CC=CC=C1 P4793 [0,0,0,0,1,0|3,0,0]=4 11 B11R1.12 COC(OC)C1=NC=NC=C1 D14032 [0,0,0,0,1,0|2,0,0]=3 12 B10R1.17 CCCCC1=CC=CN=C1 B11443 [2,0,0,0,0,0|2,0,0]=4 13 B10R1.17 CCCCC1=NC=CC=C1 B11448 [2,0,0,0,0,0|2,0,0]=4 14 B10R1.17 CCCC[N+]1=CC=CC=C1 B7889 [2,0,0,0,0,0|2,0,0]=4 15 B10R1.17 CCCC[N+]1=CC=CC=C1 B9727 [2,0,0,0,0,0|2,0,0]=4 16 B10R1.17 CNCCC1=CC=CC=C1 M12421 [2,0,0,0,0,0|1,0,0]=3 17 B10R1.17 CNCCC1=CC=NC=C1 M12425 [2,0,0,0,0,0|2,0,0]=4 18 B10R1.17 CNCCC1=NC=CC=C1 B5398 [2,0,0,0,0,0|2,0,0]=4 19 B10R1.17 CNCCC1=NC=CC=C1 B6262 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.18 CN(C)CC1=CC=CC=C1 D18840 [2,0,0,0,0,0|1,0,0]=3 21 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 M8386 [1,1,0,0,0,0|0,0,2]=4 22 B12R1.34 [C@@H](N)(C(=O)OC)C1=CC=CC=C1 P2153 [1,1,0,0,0,0|0,0,2]=4 23 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 P7705 [1,1,0,0,0,0|2,0,0]=4 24 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H7711 [1,1,0,0,0,0|2,0,0]=4 25 B12R1.49 CCC(C)OC1=CC=C(Cl)C=C1 C8394 [1,1,0,0,0,0|2,0,0]=4 26 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 M7638 [1,1,0,0,0,0|0,0,2]=4 27 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 A17809 [1,1,0,0,0,0|0,0,2]=4 28 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 M7703 [1,1,0,0,0,0|0,0,2]=4 29 B12R1.49 N#CC(O)CC1=CC=C(F)C=C1 F1362 [1,1,0,0,0,0|2,0,0]=4 30 B12R1.50 COC(=O)CC1=CC(Br)=CC=C1 B14248 [1,1,0,0,0,0|0,0,2]=4 31 B12R1.371 COC(=O)CC1=CC=CC=C1O H15810 [1,1,0,0,0,0|0,0,2]=4 32 B14R1.1031 COC(=O)C(CN)CC1=CC=CC=C1 A15327 [0,2,0,0,0,0|2,0,0]=4 33 B12R2.18 CC1CC2=C(C=CC=C2)N1N M11609 [1,0,0,1,0,0|2,0,0]=4 34 B12R2.18 CC1CC2=C(C=CC=C2)N1N M11610 [1,0,0,1,0,0|2,0,0]=4 35 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O A7187 [1,0,0,1,0,0|2,0,0]=4 36 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O A6026 [1,0,0,1,0,0|2,0,0]=4 37 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T11003 [1,0,0,1,0,0|2,0,0]=4 38 B12R2.2 C1=CC=C(C2CCCN2)C=C1 P12434 [0,0,0,1,1,0|2,0,0]=4 39 B14R2.6 C1=CC=C(CC2CCCCN2)C=C1 B8035 [0,1,0,1,0,0|2,0,0]=4 40 B14R2.6 C1=CC=C(CC2CCCNC2)C=C1 B8036 [0,1,0,1,0,0|2,0,0]=4 41 B14R2.6 C1=CC=C(CC2COCCN2)C=C1 B12900 [0,1,0,1,0,0|1,0,0]=3 42 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 E6698 [1,0,0,0,1,0|2,0,0]=4 43 B10R1.15 CC[C@H](N)C1=CC=CC=C1 E6699 [1,0,0,0,1,0|2,0,0]=4 44 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A14785 [1,0,0,0,1,0|2,0,0]=4 45 B10R1.15 NC[C@H](O)C1=CC=CC=C1 A18262 [1,0,0,0,1,0|2,0,0]=4 46 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P4802 [1,0,0,0,1,0|2,0,0]=4 47 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P4801 [1,0,0,0,1,0|2,0,0]=4 48 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P4801 [1,0,0,0,1,0|2,0,0]=4 49 B12R1.27 CC(CO)NCC1=CC=CC=C1 B14686 [1,0,0,0,0,1|2,0,0]=4 50 B12R1.27 NCC(O)COC1=CC=CC=C1 A13152 [1,0,0,0,0,1|2,0,0]=4