0 B10R1.18 CC(=O)NC1=CC=CC=C1 a03944 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.18 O=C(O)CC1=CC=CC=C1 e01172 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.8 BrCC[N+]1=CC=CC=C1 a01518 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.8 C\C=C\C1=NC=CC=C1 a03932 [1,0,0,0,0,0|1,0,2]=4 4 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 a01045 [0,1,0,0,0,0|1,0,1]=3 5 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 c08649 [0,1,0,0,0,0|2,0,1]=4 6 B11R1.40 CCC(=O)NC1=CC=CC=C1 a03951 [0,1,0,0,0,0|2,0,1]=4 7 B11R1.40 COC(=O)NC1=CC=CC=C1 e00869 [0,1,0,0,0,0|2,0,1]=4 8 B11R1.40 NNC(=O)CC1=CC=CC=C1 M06886 [0,1,0,0,0,0|1,0,1]=3 9 B11R1.40 NNC(=S)NC1=CC=CC=C1 m09227 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.40 O=C(CBr)NC1=CC=CC=C1 c03076 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.86 CC(=O)NC1=C(C)C=CC=C1 a03955 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.86 CC(=O)NC1=CC=CC=C1Cl a03950 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.86 CC(=O)NC1=CC=CC=C1O e01100 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.86 CC(C)OC1=CC=CC=C1N c07269 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.86 CN(C)CC1=C(O)C=CC=C1 c02807 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.86 CN(C)CC1=NC=CC=C1O c08864 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.157 CC(=O)NC1=CC=CC(N)=C1 c04934 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.157 CC(=O)NC1=CC=CC(O)=C1 c07391 [0,1,0,0,0,0|2,0,1]=4 19 B11R2.10 CC1=CC2=C(C=CC=C2)N1 M06543 [0,0,0,1,0,0|0,0,2]=3 20 B11R2.10 O=C1CC2=CC=CC=C2N1 c07629 [0,0,0,1,0,0|1,0,1]=3 21 B11R2.10 SC1=NC2=C(C=CC=C2)N1 c08577 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.6 CC(=O)C1=CC=CC=C1 c08846 [0,0,0,0,1,0|1,0,1]=3 23 B9R1.6 NC(=O)C1=CC=CC=C1 a03942 [0,0,0,0,1,0|1,0,1]=3 24 B9R1.6 NC(=S)C1=NC=CC=C1 a01427 [0,0,0,0,1,0|2,0,1]=4 25 B9R1.6 O=C(O)C1=CC=CC=C1 e00688 [0,0,0,0,1,0|2,0,1]=4 26 B9R1.6 OB(O)C1=CC=CC=C1 c00853 [0,0,0,0,1,0|3,0,0]=4 27 B10R1.10 CCNC1=CC=CC(C)=C1 c01117 [1,1,0,0,0,0|1,0,0]=3 28 B10R1.15 CCC(N)C1=CC=CC=C1 c07353 [1,1,0,0,0,0|0,0,0]=2 29 B10R1.15 NNC(=O)C1=CC=CC=C1 e00706 [1,1,0,0,0,0|1,0,1]=4 30 B10R1.13 CC(N)C1=CC=C(O)C=C1 c07375 [0,1,0,0,1,0|0,0,0]=2 31 B10R1.13 CN(C)C1=CC=C(N)C=C1 c08318 [0,1,0,0,1,0|2,0,0]=4 32 B10R1.113 CC(N)C1=CC(O)=CC=C1 c07637 [0,1,0,0,1,0|0,0,0]=2 33 B10R1.113 NC(=O)C1=CC(N)=CC=C1 c06082 [0,1,0,0,1,0|1,0,1]=4 34 B12R1.21 C=C(C)COC1=CC=C(N)C=C1 c02898 [0,1,0,0,0,1|1,0,1]=4 35 B12R1.21 CC(C)COC1=CC=C(N)C=C1 c01981 [0,1,0,0,0,1|1,0,0]=3 36 B12R1.21 CC(C)COC1=CC=C(N)C=C1 e00935 [0,1,0,0,0,1|1,0,0]=3 37 B12R1.21 CC1=CC=C(OCC(N)=O)C=C1 a01171 [0,1,0,0,0,1|1,0,1]=4 38 B12R1.27 COC(=O)NCC1=CC=CC=C1 c07841 [0,1,0,0,0,1|1,0,1]=4 39 B12R1.27 NNC(=O)COC1=CC=CC=C1 M01601 [0,1,0,0,0,1|1,0,1]=4 40 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 c03084 [0,1,0,0,0,1|1,0,1]=4 41 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 c08844 [0,1,0,0,0,1|2,0,0]=4 42 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 a05300 [0,1,0,0,0,1|1,0,1]=4 43 B12R1.125 C=C(C)COC1=CC=CC=C1N c03068 [0,1,0,0,0,1|1,0,1]=4 44 B12R1.125 CC(=O)NCC1=C(Cl)C=CC=C1 e00298 [0,1,0,0,0,1|1,0,1]=4 45 B12R1.125 CC(C)COC1=CC=CC=C1N c04116 [0,1,0,0,0,1|1,0,0]=3 46 B12R1.125 CC(C)NCC1=C(Cl)C=CC=C1 c04000 [0,1,0,0,0,1|1,0,0]=3 47 B12R1.125 CC(C)NCC1=CC=CC=C1Br c04046 [0,1,0,0,0,1|1,0,0]=3 48 B12R1.125 CC1=C(OCC(N)=O)C=CC=C1 a01169 [0,1,0,0,0,1|1,0,1]=4 49 B12R1.125 NC(=O)COC1=C(Cl)C=CC=C1 c07702 [0,1,0,0,0,1|1,0,1]=4 50 B12R1.226 C=C(C)COC1=CC(N)=CC=C1 c02908 [0,1,0,0,0,1|1,0,1]=4 51 B12R1.226 CC(C)COC1=CC(N)=CC=C1 c02559 [0,1,0,0,0,1|1,0,0]=3 52 B12R1.226 CC(C)COC1=CC(N)=CC=C1 c04105 [0,1,0,0,0,1|1,0,0]=3 53 B12R1.226 CC1=CC=CC(OCC(N)=O)=C1 a01170 [0,1,0,0,0,1|1,0,1]=4 54 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 c07334 [0,2,0,0,0,0|2,0,0]=4 55 B12R1.49 CC(CN)OC1=CC=C(F)C=C1 c02848 [0,2,0,0,0,0|1,0,0]=3 56 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 c07615 [0,2,0,0,0,0|1,0,1]=4 57 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 a08692 [0,2,0,0,0,0|1,0,1]=4 58 B8R1.8 CNCC1=CC=CS1 a02709 [1,0,0,0,1,0|2,0,0]=4 59 B8R1.8 CNCC1=CSC=C1 a02711 [1,0,0,0,1,0|2,0,0]=4 60 B12R1.252 CC(C)NCCC1=CC=CC=C1 c04038 [0,0,0,0,0,2|1,0,0]=3