0 B11R1.3 C(=O)C1=CC=C(B(O)O)C=C1 SBB004077 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 SBB055505 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.3 C=CC1=CC=C([N+](=O)[O-])C=C1 SBB086621 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 SBB063042 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.3 CC(C)C1=CC=C(C#N)C=C1 SBB086428 [0,0,0,0,0,0|1,0,1]=2 5 B11R1.3 CC(C)C1=CC=C(C=O)C=C1 SBB040237 [0,0,0,0,0,0|0,0,0]=0 6 B11R1.3 CC(C)C1=CC=C(CCl)C=C1 SBB042664 [0,0,0,0,0,0|1,0,1]=2 7 B11R1.3 CC(C)C1=CC=C(CN)C=C1 SBB017646 [0,0,0,0,0,0|1,0,1]=2 8 B11R1.3 CC(C)C1=CC=C(CO)C=C1 SBB065188 [0,0,0,0,0,0|0,0,2]=2 9 B11R1.3 CC(C)C1=CC=C(NN)C=C1 SBB063839 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 SBB040909 [0,0,0,0,0,0|2,0,2]=4 11 B11R1.3 CCC1=CC=C(C(C)N)C=C1 SBB016483 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.3 CN(C)C1=CC=C(C#N)C=C1 SBB008018 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 SBB008757 [0,0,0,0,0,0|1,0,0]=1 14 B11R1.3 CN(C)C1=CC=C(C=O)C=N1 SBB086715 [0,0,0,0,0,0|2,0,0]=2 15 B11R1.3 CN(C)C1=CC=C(CO)C=C1 SBB059054 [0,0,0,0,0,0|1,0,2]=3 16 B11R1.3 CN(C)C1=CC=C(N=O)C=C1 SBB058598 [0,0,0,0,0,0|2,0,0]=2 17 B11R1.3 CN(C)C1=NC=C(C=O)C=N1 SBB010324 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.3 COC1=CC=C(C(C)=O)C=C1 SBB040242 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.3 COC1=CC=C(C(C)N)C=C1 SBB007015 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 SBB088031 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 SBB040263 [0,0,0,0,0,0|2,0,1]=3 22 B11R1.3 O=CC1=CC=C([N+](=O)[O-])C=C1 SBB040235 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.3 OC(=O)C1=CC=C(C=C)C=C1 SBB006579 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.3 BrCC1=CC=C(CBr)C=C1 SBB038639 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.3 C#CC1=CC=C(C=O)C=C1 SBB064928 [1,0,0,0,0,0|0,0,2]=3 26 B10R1.3 C#CC1=CC=C(OC)C=C1 SBB063612 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.3 C(=O)C1=CC=C(C#N)C=C1 SBB008634 [1,0,0,0,0,0|1,0,1]=3 28 B10R1.3 C(=O)C1=CC=C(C=O)C=C1 SBB012343 [1,0,0,0,0,0|1,0,1]=3 29 B10R1.3 C=CC1=CC=C(C#N)C=C1 SBB017041 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.3 CCC1=CC=C(C#N)C=C1 SBB059144 [1,0,0,0,0,0|1,0,1]=3 31 B10R1.3 CCC1=CC=C(C=O)C=C1 SBB040197 [1,0,0,0,0,0|0,0,0]=1 32 B10R1.3 CCC1=CC=C(CC)C=C1 SBB061169 [1,0,0,0,0,0|1,0,1]=3 33 B10R1.3 CCC1=CC=C(CN)C=C1 SBB017636 [1,0,0,0,0,0|1,0,1]=3 34 B10R1.3 CCC1=CC=C(NN)C=C1 SBB001777 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.3 CCC1=CC=C(NN)C=C1 SBB064984 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.3 CCC1=CC=C(OC)C=C1 SBB060457 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.3 CNC1=CC=C(OC)C=C1 SBB072645 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.3 CNC1=NC=C(C=O)C=N1 SBB303398 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.3 COC1=CC=C(C#N)C=C1 SBB059484 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.3 COC1=CC=C(C=O)C=C1 SBB040224 [1,0,0,0,0,0|1,0,0]=2 41 B10R1.3 COC1=CC=C(C=O)C=N1 SBB052248 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.3 COC1=CC=C(CBr)C=C1 SBB054916 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.3 COC1=CC=C(CCl)C=C1 SBB040608 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.3 COC1=CC=C(CN)C=C1 SBB040460 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.3 COC1=CC=C(CO)C=C1 SBB063123 [1,0,0,0,0,0|1,0,2]=4 46 B10R1.3 COC1=CC=C(NN)C=C1 SBB012784 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.3 COC1=CC=C(NN)C=C1 SBB063180 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.3 COC1=CC=C(OC)C=C1 SBB060067 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.3 COC1=NC=C(C=O)C=N1 SBB018979 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.3 CSC1=CC=C(C#N)C=C1 SBB058371 [1,0,0,0,0,0|2,0,1]=4 51 B10R1.3 CSC1=CC=C(C=O)C=C1 SBB040212 [1,0,0,0,0,0|1,0,0]=2 52 B10R1.3 CSC1=CC=C(CN)C=C1 SBB017654 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.3 CSC1=CC=C(CO)C=C1 SBB064786 [1,0,0,0,0,0|1,0,2]=4 54 B10R1.3 CSC1=NC=C(C=O)C=N1 SBB018978 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.3 ClCC1=CC=C(CCl)C=C1 SBB058873 [1,0,0,0,0,0|2,0,1]=4 56 B10R1.3 N#CC1=CC=C(CBr)C=C1 SBB040652 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.3 N#CC1=CC=C(CCl)C=C1 SBB012810 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.3 N#CC1=CC=C(CN)C=C1 SBB051423 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.3 N#CC1=CC=C(CO)C=C1 SBB065161 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.3 NCC1=CC=C(CN)C=C1 SBB069890 [1,0,0,0,0,0|2,0,1]=4 61 B10R1.3 NCC1=CC=C(CO)C=C1 SBB052367 [1,0,0,0,0,0|1,0,2]=4 62 B10R1.3 OCC1=CC=C(CO)C=C1 SBB008468 [1,0,0,0,0,0|1,0,2]=4 63 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 SBB040244 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.13 CC(=O)C1=CC=C(C)C=C1 SBB058845 [1,0,0,0,0,0|1,0,2]=4 65 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 SBB040243 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.13 CC(=O)C1=CC=C(F)C=C1 SBB040257 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.13 CC(=O)C1=CC=C(I)C=C1 SBB058956 [1,0,0,0,0,0|2,0,1]=4 68 B10R1.13 CC(=O)C1=CC=C(N)C=C1 SBB040278 [1,0,0,0,0,0|2,0,1]=4 69 B10R1.13 CC(=O)C1=CC=C(O)C=C1 SBB040251 [1,0,0,0,0,0|1,0,2]=4 70 B10R1.13 CC(C)C1=CC=C(N)C=C1 SBB040447 [1,0,0,0,0,0|1,0,0]=2 71 B10R1.13 CC(N)C1=CC=C(F)C=C1 SBB046789 [1,0,0,0,0,0|2,0,0]=3 72 B10R1.13 CC(N)C1=CC=C(O)C=C1 SBB008453 [1,0,0,0,0,0|1,0,1]=3 73 B10R1.13 CC(N)C1=CC=C(O)C=C1 SBB080372 [1,0,0,0,0,0|1,0,1]=3 74 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 SBB063808 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.13 CC(O)C1=CC=C(N)C=C1 SBB048111 [1,0,0,0,0,0|2,0,0]=3 76 B10R1.13 CC1=CC=C(C(C)C)C=C1 SBB060399 [1,0,0,0,0,0|0,0,1]=2 77 B10R1.13 CC1=CC=C(C(C)N)C=C1 SBB010017 [1,0,0,0,0,0|1,0,1]=3 78 B10R1.13 CC1=CC=C(C(C)O)C=C1 SBB061733 [1,0,0,0,0,0|1,0,1]=3 79 B10R1.13 CN(C)C1=CC=C(Br)C=C1 SBB058575 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.13 CN(C)C1=CC=C(N)C=C1 SBB058715 [1,0,0,0,0,0|2,0,0]=3 81 B10R1.13 CN(C)C1=CC=[N+]([O-])C=C1 SBB008470 [1,0,0,0,0,0|2,0,1]=4 82 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 SBB064275 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 SBB064274 [1,0,0,0,0,0|2,0,0]=3 84 B10R1.13 FC1=CC=C(C(Cl)Cl)C=C1 SBB089501 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.13 NC(C)C1=CC=C(Br)C=C1 SBB006746 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.13 NC(C)C1=CC=C(Cl)C=C1 SBB004019 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.13 [NH3+]C1=CC=C(N(C)C)C=C1 SBB059799 [1,0,0,0,0,0|2,0,0]=3 88 B12R1.5 C(=O)C1=CC=C(C(=O)OC)C=C1 SBB008362 [0,1,0,0,0,0|1,0,1]=3 89 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 SBB009830 [0,1,0,0,0,0|3,0,0]=4 90 B12R1.5 CNC(C)C1=CC=C(OC)C=C1 SBB085415 [0,1,0,0,0,0|2,0,0]=3 91 B12R1.6 C(=O)C1=CC=C(C(C)(C)C)C=C1 SBB008564 [0,1,0,0,0,0|0,0,0]=1 92 B12R1.6 C(=O)C1=CC=C(S(C)(=O)=O)C=C1 SBB005572 [0,1,0,0,0,0|2,0,0]=3 93 B12R1.6 C=CC1=CC=C(C(F)(F)F)C=C1 SBB055339 [0,1,0,0,0,0|3,0,0]=4 94 B12R1.6 CC(C)(C)C1=CC=C(CBr)C=C1 SBB061725 [0,1,0,0,0,0|1,0,1]=3 95 B12R1.6 CC(C)(C)C1=CC=C(CCl)C=C1 SBB040654 [0,1,0,0,0,0|1,0,1]=3 96 B12R1.6 CC(C)(C)C1=CC=C(CN)C=C1 SBB017954 [0,1,0,0,0,0|1,0,1]=3 97 B12R1.6 CC(C)(C)C1=CC=C(NN)C=C1 SBB064726 [0,1,0,0,0,0|2,0,0]=3 98 B12R1.6 COC1=CC=C(C(C)(C)C)C=C1 SBB061019 [0,1,0,0,0,0|2,0,0]=3 99 B12R1.6 COC1=CC=C(C(C)(C)O)C=C1 SBB054762 [0,1,0,0,0,0|2,0,0]=3 100 B12R1.6 O=CC1=CC=C(C(F)(F)F)C=C1 SBB040270 [0,1,0,0,0,0|2,0,0]=3 101 B12R1.6 O=CC1=CC=C(C(F)(F)F)N=C1 SBB052246 [0,1,0,0,0,0|3,0,0]=4 102 B12R1.48 C(=O)C1=C(C)C=C(N(C)C)C=C1 SBB008015 [0,1,0,0,0,0|1,0,0]=2 103 B12R1.48 CN(C)C1=CC=C(C=O)C(Cl)=C1 SBB052150 [0,1,0,0,0,0|1,0,0]=2 104 B12R1.48 CN(C)C1=CC=C(N=O)C(O)=C1 SBB071662 [0,1,0,0,0,0|2,0,0]=3 105 B12R1.48 O=CC1=CC=C(B(O)O)C=C1F SBB063970 [0,1,0,0,0,0|3,0,0]=4 106 B12R1.113 C(=O)OC1=CC=C([N+](=O)[O-])C=C1 SBB008045 [0,1,0,0,0,0|3,0,0]=4 107 B12R1.113 CC(=O)C1=CC=C(N=C=O)C=C1 SBB046961 [0,1,0,0,0,0|1,0,2]=4 108 B12R1.113 CC(C)C1=CC=C(N=C=O)C=C1 SBB035782 [0,1,0,0,0,0|0,0,1]=2 109 B12R1.113 CC(C)C1=CC=C(N=C=S)C=C1 SBB089315 [0,1,0,0,0,0|0,1,1]=3 110 B12R1.113 CCCC1=CC=C(C(C)N)C=C1 SBB020275 [0,1,0,0,0,0|2,0,1]=4 111 B12R1.113 CCOC1=CC=C(C(C)N)C=C1 SBB007021 [0,1,0,0,0,0|2,0,1]=4 112 B12R1.113 CN(C)C1=CC=C(CCN)C=C1 SBB007529 [0,1,0,0,0,0|2,0,1]=4 113 B12R1.113 CN(C)C1=CC=C(CCN)C=C1 SBB080393 [0,1,0,0,0,0|2,0,1]=4 114 B12R1.113 CN(C)C1=CC=C(N=C=S)C=C1 SBB089457 [0,1,0,0,0,0|1,1,1]=4 115 B12R1.256 C=C(C)C1=CC=C(C(=C)C)C=C1 SBB061144 [0,1,0,0,0,0|1,0,2]=4 116 B12R1.256 CC(=O)C1=CC=C(B(O)O)C=C1 SBB000146 [0,1,0,0,0,0|3,0,0]=4 117 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 SBB051425 [0,1,0,0,0,0|1,0,1]=3 118 B12R1.256 CC(=O)C1=CC=C(C(C)=O)C=C1 SBB008588 [0,1,0,0,0,0|1,0,1]=3 119 B12R1.256 CC(=O)C1=CC=C(C(C)C)C=C1 SBB063211 [0,1,0,0,0,0|0,0,0]=1 120 B12R1.256 CC(=O)C1=CC=C(N(C)C)C=C1 SBB007875 [0,1,0,0,0,0|1,0,0]=2 121 B12R1.256 CC(=O)C1=CC=C([N+](=O)[O-])C=C1 SBB040245 [0,1,0,0,0,0|2,0,1]=4 122 B12R1.256 CC(=O)C1=CC=C([N+](=O)[O-])C=C1 SBB060947 [0,1,0,0,0,0|2,0,1]=4 123 B12R1.256 CC(C)C1=CC=C(B(O)O)C=C1 SBB047821 [0,1,0,0,0,0|1,0,1]=3 124 B12R1.256 CC(C)C1=CC=C(C(=O)O)C=C1 SBB063138 [0,1,0,0,0,0|0,0,0]=1 125 B12R1.256 CC(C)C1=CC=C(C(C)C)C=C1 SBB061170 [0,1,0,0,0,0|1,0,1]=3 126 B12R1.256 CC(C)C1=CC=C(C(C)N)C=C1 SBB017955 [0,1,0,0,0,0|1,0,1]=3 127 B12R1.256 CC(C)C1=NC=C(C(=O)O)C=N1 SBB303243 [0,1,0,0,0,0|2,0,0]=3 128 B12R1.256 CN(C)C1=CC=C(C(=N)N)C=C1 SBB076715 [0,1,0,0,0,0|2,0,0]=3 129 B12R1.256 CN(C)C1=CC=C(C(=O)Cl)C=C1 SBB053620 [0,1,0,0,0,0|1,0,0]=2 130 B12R1.256 CN(C)C1=CC=C(C(=O)O)C=C1 SBB040528 [0,1,0,0,0,0|1,0,0]=2 131 B12R1.256 CN(C)C1=CC=C(C(N)=S)C=C1 SBB089712 [0,1,0,0,0,0|1,1,0]=3 132 B12R1.256 CN(C)C1=NC=C(C(=O)O)C=N1 SBB010482 [0,1,0,0,0,0|3,0,0]=4 133 B12R1.256 C[C@H](N)C1=CC=C([N+](=O)[O-])C=C1 SBB063455 [0,1,0,0,0,0|2,0,0]=3 134 B12R1.256 NC(=O)C1=CC=C(B(O)O)C=C1 SBB070119 [0,1,0,0,0,0|3,0,0]=4 135 B12R1.256 NC(=O)C1=CC=C(C(=O)O)C=C1 SBB087883 [0,1,0,0,0,0|2,0,1]=4 136 B12R1.256 NC(=O)C1=CC=C(C(N)=O)C=C1 SBB058525 [0,1,0,0,0,0|2,0,1]=4 137 B12R1.256 NC(=O)C1=CC=C([N+](=O)[O-])C=C1 SBB008201 [0,1,0,0,0,0|3,0,0]=4 138 B12R1.256 O=C(Cl)C1=CC=C([N+](=O)[O-])C=C1 SBB056880 [0,1,0,0,0,0|3,0,0]=4 139 B12R1.256 OB(O)C1=CC=C(C(=O)O)C=C1 SBB003899 [0,1,0,0,0,0|3,0,0]=4 140 B12R1.256 OC(=O)C1=CC=C([N+](=O)[O-])C=C1 SBB058196 [0,1,0,0,0,0|3,0,0]=4 141 B12R1.452 O=CC1=CC(O)=C([N+](=O)[O-])C=C1 SBB063279 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.31 C(=O)C1=CC(C(C)C)=NN1 SBB116126 [0,0,0,0,1,0|2,0,0]=3 143 B10R1.31 C(=O)C1=NOC(C(C)C)=C1 SBB073330 [0,0,0,0,1,0|2,0,0]=3 144 B10R1.31 CC(=O)C1=CC(C=O)=CS1 SBB301822 [0,0,0,0,1,0|2,0,1]=4 145 B10R1.31 CC(=O)C1=CC=C(C=O)S1 SBB087020 [0,0,0,0,1,0|2,0,1]=4 146 B10R1.31 CC(C)C1=NOC(C=O)=C1 SBB073314 [0,0,0,0,1,0|2,0,0]=3 147 B10R1.31 CC(C)N1C=C(C=O)C=N1 SBB025106 [0,0,0,0,1,0|2,0,0]=3 148 B10R1.31 CC(C)N1C=CC(C=O)=N1 SBB073805 [0,0,0,0,1,0|2,0,0]=3 149 B10R1.31 CN(C)C1=CC=C(C=O)O1 SBB010276 [0,0,0,0,1,0|2,0,0]=3 150 B10R1.31 CN(C)C1=CC=C(C=O)S1 SBB010367 [0,0,0,0,1,0|2,0,0]=3 151 B12R1.4 C(=O)C1=CC=C(OC(C)=O)C=C1 SBB008231 [0,0,0,0,0,1|1,0,1]=3 152 B12R1.4 C(=O)C1=CC=C(OC(F)F)C=C1 SBB003837 [0,0,0,0,0,1|2,0,0]=3 153 B12R1.4 C=CC1=CC=C(CN(C)C)C=C1 SBB116892 [0,0,0,0,0,1|2,0,0]=3 154 B12R1.4 CC(=O)NC1=CC=C(C=O)C=C1 SBB058823 [0,0,0,0,0,1|1,0,1]=3 155 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 SBB019521 [0,0,0,0,0,1|0,0,0]=1 156 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 SBB010165 [0,0,0,0,0,1|1,0,1]=3 157 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 SBB080381 [0,0,0,0,0,1|1,0,1]=3 158 B12R1.4 CN(C)CC1=CC=C(C=O)C=C1 SBB108985 [0,0,0,0,0,1|1,0,0]=2 159 B9R1.1 BrCC1=CC=C(Br)C=C1 SBB040668 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.1 BrCC1=CC=C(I)C=C1 SBB054901 [2,0,0,0,0,0|2,0,0]=4 161 B9R1.1 C(=O)C1=CC=C(Cl)N=C1 SBB004157 [2,0,0,0,0,0|2,0,0]=4 162 B9R1.1 CC1=CC=C(C#N)C=C1 SBB055483 [2,0,0,0,0,0|1,0,1]=4 163 B9R1.1 CC1=CC=C(CCl)C=C1 SBB040648 [2,0,0,0,0,0|1,0,1]=4 164 B9R1.1 CC1=CC=C(CN)C=C1 SBB040468 [2,0,0,0,0,0|1,0,1]=4 165 B9R1.1 CC1=CC=C(CO)C=C1 SBB063354 [2,0,0,0,0,0|0,0,2]=4 166 B9R1.1 CC1=CC=C(CS)C=C1 SBB086032 [2,0,0,0,0,0|0,1,1]=4 167 B9R1.1 CC1=CN=C(C=O)C=C1 SBB065436 [2,0,0,0,0,0|1,0,0]=3 168 B9R1.1 CC1=NC=C(C=O)C=C1 SBB065430 [2,0,0,0,0,0|1,0,0]=3 169 B9R1.1 CC1=NC=C(C=O)C=N1 SBB010235 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.1 CCC1=CC=C(Br)C=C1 SBB054183 [2,0,0,0,0,0|1,0,0]=3 171 B9R1.1 CCC1=CC=C(Br)C=C1 SBB060979 [2,0,0,0,0,0|1,0,0]=3 172 B9R1.1 CCC1=CC=C(C)N=C1 SBB060375 [2,0,0,0,0,0|1,0,1]=4 173 B9R1.1 CCC1=CC=C(F)C=C1 SBB085565 [2,0,0,0,0,0|1,0,0]=3 174 B9R1.1 CCC1=CC=C(N)C=C1 SBB040445 [2,0,0,0,0,0|1,0,0]=3 175 B9R1.1 CCC1=CC=C(O)C=C1 SBB057513 [2,0,0,0,0,0|0,0,1]=3 176 B9R1.1 CNC1=CC=C(N)C=C1 SBB003597 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.1 COC1=CC=C(Br)C=C1 SBB060208 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.1 COC1=CC=C(C)C=C1 SBB060064 [2,0,0,0,0,0|1,0,1]=4 179 B9R1.1 COC1=CC=C(Cl)C=C1 SBB061022 [2,0,0,0,0,0|2,0,0]=4 180 B9R1.1 COC1=CC=C(F)C=C1 SBB085645 [2,0,0,0,0,0|2,0,0]=4 181 B9R1.1 COC1=CC=C(N)C=C1 SBB040441 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.1 COC1=CC=C(O)C=C1 SBB060425 [2,0,0,0,0,0|1,0,1]=4 183 B9R1.1 CSC1=CC=C(F)C=C1 SBB086252 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.1 CSC1=CC=C(O)C=C1 SBB071908 [2,0,0,0,0,0|1,0,1]=4 185 B9R1.1 ClCC1=CC=C(Cl)C=C1 SBB058606 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.1 FC1=CC=C(CBr)C=C1 SBB058857 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.1 FC1=CC=C(CCl)C=C1 SBB040604 [2,0,0,0,0,0|2,0,0]=4 188 B9R1.1 NC1=CC=C(CO)C=C1 SBB063021 [2,0,0,0,0,0|2,0,0]=4 189 B9R1.1 NC1=CC=C(SC)C=C1 SBB006658 [2,0,0,0,0,0|2,0,0]=4 190 B9R1.1 NCC1=CC=C(Br)C=C1 SBB090347 [2,0,0,0,0,0|2,0,0]=4 191 B9R1.1 NCC1=CC=C(Cl)C=C1 SBB004154 [2,0,0,0,0,0|2,0,0]=4 192 B9R1.1 NCC1=CC=C(F)C=C1 SBB017547 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.1 NCC1=CC=C(F)C=C1 SBB028215 [2,0,0,0,0,0|2,0,0]=4 194 B9R1.1 NCC1=CC=C(I)C=C1 SBB052373 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.1 NCC1=CC=C(N)C=C1 SBB002565 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.1 NCC1=CC=C(O)C=C1 SBB046561 [2,0,0,0,0,0|1,0,1]=4 197 B9R1.1 O=CC1=CC=C(Br)C=C1 SBB007609 [2,0,0,0,0,0|1,0,0]=3 198 B9R1.1 O=CC1=CC=C(Cl)C=C1 SBB040227 [2,0,0,0,0,0|1,0,0]=3 199 B9R1.1 O=CC1=CC=C(F)C=C1 SBB040209 [2,0,0,0,0,0|1,0,0]=3 200 B9R1.1 O=CC1=CC=C(F)N=C1 SBB052255 [2,0,0,0,0,0|2,0,0]=4 201 B9R1.1 O=CC1=CC=C(I)C=C1 SBB062822 [2,0,0,0,0,0|1,0,0]=3 202 B9R1.1 O=CC1=CC=C(O)C=C1 SBB028743 [2,0,0,0,0,0|1,0,0]=3 203 B9R1.1 O=CC1=CC=C(O)N=C1 SBB052249 [2,0,0,0,0,0|2,0,0]=4 204 B9R1.1 O=CC1=CN=C(Br)C=C1 SBB052244 [2,0,0,0,0,0|2,0,0]=4 205 B9R1.1 O=CC1=NC=C(Br)C=C1 SBB052231 [2,0,0,0,0,0|2,0,0]=4 206 B9R1.1 O=CC1=NC=C(Cl)C=C1 SBB086215 [2,0,0,0,0,0|2,0,0]=4 207 B9R1.1 O=CC1=NC=C(F)C=C1 SBB065526 [2,0,0,0,0,0|2,0,0]=4 208 B9R1.1 OCC1=CC=C(Br)C=C1 SBB064717 [2,0,0,0,0,0|2,0,0]=4 209 B9R1.1 OCC1=CC=C(Cl)C=C1 SBB058581 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.1 OCC1=CC=C(F)C=C1 SBB058560 [2,0,0,0,0,0|2,0,0]=4 211 B9R1.1 OCC1=CC=C(I)C=C1 SBB063681 [2,0,0,0,0,0|2,0,0]=4 212 B9R1.1 OCC1=CC=C(O)C=C1 SBB059322 [2,0,0,0,0,0|1,0,1]=4 213 B9R1.1 SCC1=CC=C(Br)C=C1 SBB067614 [2,0,0,0,0,0|2,0,0]=4 214 B9R1.1 [NH2+](C)C1=CC=C(O)C=C1 SBB060652 [2,0,0,0,0,0|1,0,1]=4 215 B9R1.1 [NH3+]NC1=CC=C(C)C=C1 SBB058586 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.6 C=C(C)C1=CC=CC=C1 SBB060154 [2,0,0,0,0,0|0,0,2]=4 217 B9R1.6 CC(=O)C1=CC=CC=C1 SBB040241 [2,0,0,0,0,0|1,0,1]=4 218 B9R1.6 CC(Br)C1=CC=CC=C1 SBB040667 [2,0,0,0,0,0|1,0,0]=3 219 B9R1.6 CC(C)C1=CC=CC=C1 SBB040817 [2,0,0,0,0,0|0,0,0]=2 220 B9R1.6 CC(Cl)C1=CC=CC=C1 SBB007671 [2,0,0,0,0,0|1,0,0]=3 221 B9R1.6 CC(N)C1=CC=CC=C1 SBB040514 [2,0,0,0,0,0|1,0,0]=3 222 B9R1.6 CC(N)C1=CC=NC=C1 SBB007016 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.6 CC(N)C1=CN=CC=C1 SBB027288 [2,0,0,0,0,0|2,0,0]=4 224 B9R1.6 CC(N)C1=NC=CC=C1 SBB018707 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.6 CC(O)C1=CC=CC=C1 SBB058702 [2,0,0,0,0,0|1,0,0]=3 226 B9R1.6 CN(C)C1=CC=CC=C1 SBB040814 [2,0,0,0,0,0|1,0,0]=3 227 B9R1.6 CN(C)C1=CC=NC=C1 SBB008765 [2,0,0,0,0,0|2,0,0]=4 228 B9R1.6 CN(N)C1=CC=CC=C1 SBB060814 [2,0,0,0,0,0|2,0,0]=4 229 B9R1.6 C[C@@H](O)C1=CC=NC=C1 SBB065458 [2,0,0,0,0,0|2,0,0]=4 230 B9R1.6 C[C@H](N)C1=CC=CC=C1 SBB051709 [2,0,0,0,0,0|1,0,0]=3 231 B11R1.83 CCC1=CC=C(CC#N)C=C1 SBB065173 [1,1,0,0,0,0|1,0,1]=4 232 B11R1.83 CCC1=CC=C(N=C=O)C=C1 SBB046954 [1,1,0,0,0,0|0,0,1]=3 233 B11R1.83 CCC1=CC=C(N=C=S)C=C1 SBB030516 [1,1,0,0,0,0|0,1,1]=4 234 B11R1.83 CCCC1=CC=C(C#N)C=C1 SBB059145 [1,1,0,0,0,0|1,0,1]=4 235 B11R1.83 CCCC1=CC=C(C=O)C=C1 SBB059136 [1,1,0,0,0,0|0,0,0]=2 236 B11R1.83 CCCC1=CC=C(CN)C=C1 SBB059679 [1,1,0,0,0,0|1,0,1]=4 237 B11R1.83 CCCC1=CC=C(OC)C=C1 SBB007737 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.83 CCCC1=NC=C(C=O)C=N1 SBB301950 [1,1,0,0,0,0|2,0,0]=4 239 B11R1.83 CCNC1=CC=C(CC)C=C1 SBB072094 [1,1,0,0,0,0|1,0,1]=4 240 B11R1.83 CCOC1=CC=C(C#N)C=C1 SBB055390 [1,1,0,0,0,0|1,0,1]=4 241 B11R1.83 CCOC1=CC=C(C=O)C=C1 SBB016657 [1,1,0,0,0,0|0,0,0]=2 242 B11R1.83 CCOC1=CC=C(CBr)C=C1 SBB081616 [1,1,0,0,0,0|1,0,1]=4 243 B11R1.83 CCOC1=CC=C(CN)C=C1 SBB017652 [1,1,0,0,0,0|1,0,1]=4 244 B11R1.83 CCSC1=CC=C(C=O)C=C1 SBB079149 [1,1,0,0,0,0|0,0,0]=2 245 B11R1.83 CCSC1=NC=C(C=O)C=N1 SBB302059 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.83 CNCC1=CC=C(OC)C=C1 SBB086791 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.83 COC1=CC=C(CC=O)C=C1 SBB052209 [1,1,0,0,0,0|1,0,0]=3 248 B11R1.83 COC1=CC=C(CCN)C=C1 SBB058795 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.83 COC1=CC=C(N=C=O)C=C1 SBB048851 [1,1,0,0,0,0|1,0,1]=4 250 B11R1.83 COC1=CC=C(\C=N/O)C=C1 SBB086769 [1,1,0,0,0,0|1,0,1]=4 251 B11R1.83 CSC1=CC=C(N=C=O)C=C1 SBB048889 [1,1,0,0,0,0|1,0,1]=4 252 B11R1.83 N#CC1=CC=C(CCO)C=C1 SBB086537 [1,1,0,0,0,0|1,0,1]=4 253 B11R1.83 O=C=NC1=CC=C(CCl)C=C1 SBB088118 [1,1,0,0,0,0|1,0,1]=4 254 B11R1.279 C(=O)C1=CC(Cl)=C(OC)C=C1 SBB003854 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.279 C(=O)C1=CC=C(OC)C(C)=C1 SBB008533 [1,1,0,0,0,0|1,0,0]=3 256 B11R1.279 C(=O)C1=CC=C(OC)C(O)=C1 SBB008245 [1,1,0,0,0,0|1,0,0]=3 257 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 SBB006750 [1,1,0,0,0,0|1,0,0]=3 258 B11R1.279 COC1=CC=C(C=O)C(F)=C1 SBB063771 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.279 COC1=CC=C(C=O)C(O)=C1 SBB063106 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.279 COC1=CC=C(C=O)C=C1F SBB063092 [1,1,0,0,0,0|1,0,0]=3 261 B11R1.279 N#CC1=C(F)C=C(C=O)C=C1 SBB055304 [1,1,0,0,0,0|1,0,1]=4 262 B11R1.19 CC(C)(C)C1=CC=C(Br)C=C1 SBB054162 [1,1,0,0,0,0|1,0,0]=3 263 B11R1.19 CC(C)(C)C1=CC=C(N)C=C1 SBB007738 [1,1,0,0,0,0|1,0,0]=3 264 B11R1.19 CC(C)(C)C1=CC=C(O)C=C1 SBB060742 [1,1,0,0,0,0|0,0,1]=3 265 B11R1.19 CC(C)(C)C1=CC=[N+]([O-])C=C1 SBB086788 [1,1,0,0,0,0|1,0,1]=4 266 B11R1.19 CC(C)(N)C1=CC=C(Cl)C=C1 SBB052375 [1,1,0,0,0,0|1,0,0]=3 267 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 SBB052370 [1,1,0,0,0,0|1,0,0]=3 268 B11R1.19 CC(C)(O)C1=CC=C(F)C=C1 SBB087016 [1,1,0,0,0,0|1,0,0]=3 269 B11R1.19 CC1=CC=C(C(C)(C)N)C=C1 SBB052376 [1,1,0,0,0,0|0,0,1]=3 270 B11R1.19 CC1=CC=C(C(C)(C)O)C=C1 SBB063535 [1,1,0,0,0,0|0,0,1]=3 271 B11R1.21 CC(C)C1=CC(N)=C(O)C=C1 SBB013738 [1,1,0,0,0,0|0,0,1]=3 272 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 SBB009345 [1,1,0,0,0,0|1,0,1]=4 273 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 SBB060790 [1,1,0,0,0,0|0,0,1]=3 274 B11R1.22 CCC(N)C1=CC=C(C)C=C1 SBB017924 [1,1,0,0,0,0|1,0,1]=4 275 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 SBB046785 [1,1,0,0,0,0|2,0,0]=4 276 B11R1.22 CCC(N)C1=CC=C(F)C=C1 SBB010339 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.22 CCC(N)C1=CC=C(O)C=C1 SBB080407 [1,1,0,0,0,0|1,0,1]=4 278 B11R1.22 CCC(O)C1=CC=C(F)C=C1 SBB087018 [1,1,0,0,0,0|2,0,0]=4 279 B11R1.166 CC(N)C1=C(Cl)C=C(Cl)C=C1 SBB046783 [1,1,0,0,0,0|2,0,0]=4 280 B11R1.166 CC1=C(C(C)C)C=CC(N)=C1 SBB059023 [1,1,0,0,0,0|1,0,0]=3 281 B11R1.166 CC1=C(C(C)C)C=CC(N)=C1 SBB073013 [1,1,0,0,0,0|1,0,0]=3 282 B11R1.166 CC1=CC(Br)=CC=C1N(C)C SBB094912 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.166 CC1=CC(C)=C(C(C)N)C=C1 SBB020377 [1,1,0,0,0,0|1,0,1]=4 284 B11R1.166 CC1=CC(O)=C(C(C)C)C=C1 SBB060429 [1,1,0,0,0,0|0,0,1]=3 285 B11R1.166 C[C@H](N)C1=CC=C(F)C=C1F SBB070347 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.44 CCC(C)N1C=C(C=O)C=N1 SBB025166 [0,1,0,0,1,0|2,0,0]=4 287 B11R1.45 CC(C)(C)N1C=CC(C=O)=C1 SBB302982 [0,1,0,0,1,0|1,0,0]=3 288 B11R1.48 CC1=NN(C(C)C)C=C1C=O SBB022971 [0,1,0,0,1,0|2,0,0]=4 289 B11R1.50 CC(C)C1=CC(C=O)=NN1C SBB073806 [0,1,0,0,1,0|2,0,0]=4 290 B11R1.175 CC(C)C1=CC(C(=O)O)=CS1 SBB017967 [0,1,0,0,1,0|1,0,0]=3 291 B11R1.175 CC(C)C1=CC(C(=O)O)=NO1 SBB010358 [0,1,0,0,1,0|2,0,0]=4 292 B11R1.175 CC(C)C1=CC=C(C(=O)O)S1 SBB023953 [0,1,0,0,1,0|1,0,0]=3 293 B11R1.175 CC(C)C1=NNC(C(=O)O)=C1 SBB010346 [0,1,0,0,1,0|2,0,0]=4 294 B11R1.175 CC(C)C1=NOC(C(=O)O)=C1 SBB026009 [0,1,0,0,1,0|2,0,0]=4 295 B11R1.175 CC(C)N1C=C(C(=O)Cl)C=N1 SBB073793 [0,1,0,0,1,0|2,0,0]=4 296 B11R1.175 CC(C)N1C=C(C(=O)O)C=N1 SBB007276 [0,1,0,0,1,0|2,0,0]=4 297 B11R1.175 CC(C)N1C=CC(C(=O)O)=N1 SBB022919 [0,1,0,0,1,0|2,0,0]=4 298 B11R1.175 CC(N)C1=CC=C(C(=O)O)O1 SBB302058 [0,1,0,0,1,0|2,0,0]=4 299 B11R1.473 CC1=C(C=O)C=NN1C(C)C SBB033725 [0,1,0,0,1,0|2,0,0]=4 300 B13R1.4 CC(C)(C)OC1=CC=C(C#N)C=C1 SBB116841 [0,1,0,0,0,1|1,0,1]=4 301 B13R1.4 CC(C)(C)OC1=CC=C(C=O)C=C1 SBB064166 [0,1,0,0,0,1|0,0,0]=2 302 B13R1.4 O=CC1=CC=C(OC(F)(F)F)C=C1 SBB063358 [0,1,0,0,0,1|2,0,0]=4 303 B13R1.4 O=CC1=CC=C(SC(F)(F)F)C=C1 SBB093623 [0,1,0,0,0,1|2,0,0]=4 304 B13R1.5 C(=O)C1=CC=C(OC(=O)CC)C=C1 SBB008232 [0,1,0,0,0,1|1,0,1]=4 305 B13R1.5 CCC(C)OC1=CC=C(CN)C=C1 SBB080339 [0,1,0,0,0,1|1,0,1]=4 306 B13R1.5 COC1=CC=C(OC(C)CN)C=C1 SBB027279 [0,1,0,0,0,1|2,0,0]=4 307 B13R1.585 CC(=O)C1=CC=C(CC(C)C)C=C1 SBB007668 [0,1,0,0,0,1|0,0,0]=2 308 B13R1.585 CC(=O)C1=CC=C(OC(C)C)C=C1 SBB089435 [0,1,0,0,0,1|0,0,0]=2 309 B13R1.585 CC(=O)C1=CC=C(OC(F)F)C=C1 SBB021378 [0,1,0,0,0,1|2,0,0]=4 310 B13R1.585 CC(=O)NC1=CC=C(C(=O)Cl)C=C1 SBB067901 [0,1,0,0,0,1|1,0,1]=4 311 B13R1.585 CC(=O)NC1=CC=C(C(C)=O)C=C1 SBB063980 [0,1,0,0,0,1|1,0,1]=4 312 B13R1.585 CC(=O)OC1=CC=C(C(=O)O)C=C1 SBB085158 [0,1,0,0,0,1|1,0,1]=4 313 B13R1.585 CC(=O)OC1=CC=C(C(C)=O)C=C1 SBB005780 [0,1,0,0,0,1|1,0,1]=4 314 B13R1.585 CC(C)OC1=CC=C(B(O)O)C=C1 SBB071070 [0,1,0,0,0,1|1,0,1]=4 315 B13R1.585 CC(C)OC1=CC=C(C(=O)O)C=C1 SBB028609 [0,1,0,0,0,1|0,0,0]=2 316 B13R1.585 CC(C)OC1=CC=C(C(C)N)C=C1 SBB010642 [0,1,0,0,0,1|1,0,1]=4 317 B13R1.585 CC(C)SC1=CC=C(B(O)O)C=C1 SBB071309 [0,1,0,0,0,1|1,0,1]=4 318 B13R1.585 CN(C)CC1=CC=C(C(=O)O)C=C1 SBB085369 [0,1,0,0,0,1|1,0,0]=3 319 B13R1.585 O=C(Cl)C1=CC=C(OC(F)F)C=C1 SBB053614 [0,1,0,0,0,1|2,0,0]=4 320 B13R1.585 O=C(O)C1=CC=C(OC(F)F)C=C1 SBB003678 [0,1,0,0,0,1|2,0,0]=4 321 B13R1.585 OC(=O)C1=CC=C(NC(C)=O)C=C1 SBB037858 [0,1,0,0,0,1|1,0,1]=4 322 B13R1.653 O=CC1=CC(O)=C(OC(F)F)C=C1 SBB052174 [0,1,0,0,0,1|2,0,0]=4 323 B13R1.39 CCN(CC)C1=CC=C(C=O)C=C1 SBB040233 [0,2,0,0,0,0|1,0,0]=3 324 B13R1.187 CCC(C)(C)C1=CC=C(C=O)C=C1 SBB064604 [0,2,0,0,0,0|0,0,0]=2 325 B13R1.187 CCS(=O)(=O)C1=CC=C(C=O)C=C1 SBB072126 [0,2,0,0,0,0|2,0,0]=4 326 B13R1.187 COC1=CC=C(C(C)(C)C#N)C=C1 SBB055157 [0,2,0,0,0,0|2,0,0]=4 327 B13R1.537 CCC(=O)C1=CC=C(C(C)C)C=C1 SBB028616 [0,2,0,0,0,0|0,0,0]=2 328 B13R1.537 CCC(C)C1=CC=C(B(O)O)C=C1 SBB050946 [0,2,0,0,0,0|1,0,1]=4 329 B13R1.537 CCC(C)C1=CC=C(C(C)N)C=C1 SBB020276 [0,2,0,0,0,0|1,0,1]=4 330 B13R1.537 CCC(N)C1=CC=C(C(C)C)C=C1 SBB020611 [0,2,0,0,0,0|1,0,1]=4 331 B13R1.537 CN(C)C1=CC=C(C(=O)CBr)C=C1 SBB099538 [0,2,0,0,0,0|1,0,0]=3 332 B13R1.537 CN(C)C1=CC=C(C(=O)NN)C=C1 SBB017612 [0,2,0,0,0,0|1,0,0]=3 333 B13R1.537 COC(=O)C1=CC=C(C(=O)O)C=C1 SBB052833 [0,2,0,0,0,0|1,0,1]=4 334 B13R1.537 COC(=O)C1=CC=C(C(C)=O)C=C1 SBB064206 [0,2,0,0,0,0|1,0,1]=4 335 B13R1.537 COC(=O)C1=CC=C(C(N)=O)C=C1 SBB072629 [0,2,0,0,0,0|1,0,1]=4 336 B13R1.537 C\C(=N/O)C1=CC=C(C(C)C)C=C1 SBB020244 [0,2,0,0,0,0|0,0,1]=3 337 B13R1.537 O=C(O)C1=CC=C(C(=O)CBr)C=C1 SBB116767 [0,2,0,0,0,0|1,0,1]=4 338 B13R1.537 O=[N+]([O-])C1=CC=C(C(O)CO)C=C1 SBB072141 [0,2,0,0,0,0|2,0,0]=4 339 B13R1.38 O=CC1=CC=C(C(F)(F)F)C=C1F SBB064507 [0,2,0,0,0,0|2,0,0]=4 340 B13R1.96 O=CC1=CC=C(C(F)(F)F)C(F)=C1 SBB064360 [0,2,0,0,0,0|2,0,0]=4 341 B13R1.140 CC(C)(C)C1=CC=C(\C=N\O)C=C1 SBB089293 [0,2,0,0,0,0|0,0,1]=3 342 B13R1.338 CC(=O)C1=CC=C(C(C)(C)C)C=C1 SBB063214 [0,2,0,0,0,0|0,0,0]=2 343 B13R1.338 CC(=O)C1=CC=C(C(F)(F)F)C=C1 SBB063149 [0,2,0,0,0,0|2,0,0]=4 344 B13R1.338 CC(=O)C1=CC=C(S(C)(=O)=O)C=C1 SBB058963 [0,2,0,0,0,0|2,0,0]=4 345 B13R1.338 CC(C)(C)C1=CC=C(B(O)O)C=C1 SBB089356 [0,2,0,0,0,0|1,0,1]=4 346 B13R1.338 CC(C)(C)C1=CC=C(C(=O)O)C=C1 SBB040518 [0,2,0,0,0,0|0,0,0]=2 347 B13R1.338 CC(C)(C)C1=CC=C(C(N)=O)C=C1 SBB055509 [0,2,0,0,0,0|0,0,0]=2 348 B13R1.338 CC(C)(C)C1=CC=C(C(N)=S)C=C1 SBB091624 [0,2,0,0,0,0|0,1,0]=3 349 B13R1.338 CC(C)(C)C1=NC=C(C(=O)O)C=N1 SBB089672 [0,2,0,0,0,0|2,0,0]=4 350 B13R1.338 CC(C)C1=CC=C(S(=O)(=O)Cl)C=C1 SBB016762 [0,2,0,0,0,0|1,0,0]=3 351 B13R1.338 CC(C)C1=CC=C(S(N)(=O)=O)C=C1 SBB082125 [0,2,0,0,0,0|1,0,0]=3 352 B13R1.338 CC(N)C1=CC=C(C(C)(C)C)C=C1 SBB020612 [0,2,0,0,0,0|1,0,1]=4 353 B13R1.338 CC(N)C1=CC=C(S(C)(=O)=O)C=C1 SBB027646 [0,2,0,0,0,0|2,0,0]=4 354 B13R1.338 CS(=O)(=O)C1=CC=C(C(=O)O)C=C1 SBB064012 [0,2,0,0,0,0|2,0,0]=4 355 B13R1.338 NC(=O)C1=CC=C(C(F)(F)F)C=C1 SBB002331 [0,2,0,0,0,0|2,0,0]=4 356 B13R1.338 O=C(Cl)C1=CC=C(C(F)(F)F)C=C1 SBB003467 [0,2,0,0,0,0|2,0,0]=4 357 B13R1.338 O=C(O)C1=CC=C(C(F)(F)F)C=C1 SBB008571 [0,2,0,0,0,0|2,0,0]=4 358 B13R1.120 CC(C)C1=CC=C(C(=O)O)C(=O)N1 SBB302739 [0,2,0,0,0,0|1,0,0]=3 359 B13R1.120 CC1=NC(C(C)C)=NC=C1C(=O)O SBB303260 [0,2,0,0,0,0|2,0,0]=4 360 B13R1.120 CN(C)C1=C(Cl)C=C([N+](=O)[O-])C=C1 SBB007974 [0,2,0,0,0,0|2,0,0]=4 361 B13R1.74 CC(C)C1=CC=C(OCCN)C=C1 SBB016462 [0,2,0,0,0,0|1,0,1]=4 362 B13R1.74 CN(C)C1=CC=C(\C=C\C=O)C=C1 SBB067624 [0,2,0,0,0,0|1,0,0]=3 363 B11R1.43 CC(C)CC1=CC=C(C=O)S1 SBB079516 [0,0,1,1,0,0|1,0,1]=4 364 B11R2.34 FC1=CC=C([C@@H]2CO2)C=C1 SBB064278 [1,0,0,1,0,0|2,0,0]=4 365 B11R2.21 O=CC1=CC(C2CC2)=NN1 SBB027095 [0,0,0,1,1,0|2,0,0]=4 366 B13R2.2121 CC1CC2=C(C=CC(C=O)=C2)O1 SBB010436 [0,0,0,1,0,1|0,0,0]=2 367 B13R2.2121 CC1CC2=C(C=CC(CN)=C2)O1 SBB010441 [0,0,0,1,0,1|1,0,1]=4 368 B13R2.2121 CC1CC2=C(C=CC(CO)=C2)O1 SBB303432 [0,0,0,1,0,1|0,0,2]=4 369 B13R2.2121 CC1CC2=CC(C#N)=CC=C2O1 SBB019240 [0,0,0,1,0,1|1,0,1]=4 370 B13R2.2130 CN1C=CC2=C1C=CC(C=O)=C2 SBB018852 [0,1,0,1,0,0|1,0,1]=4 371 B13R2.2130 CN1CCC2=C1C=CC(C=O)=C2 SBB014780 [0,1,0,1,0,0|1,0,0]=3 372 B13R2.428 O=C(O)C1=CN=C(C2CC2)N=C1 SBB303338 [0,1,0,1,0,0|2,0,0]=4 373 B9R1.21 C(=O)C1=CC(CC)=NO1 SBB073356 [1,0,0,0,1,0|2,0,0]=4 374 B9R1.21 C(=O)C1=CC=C(CO)O1 SBB004259 [1,0,0,0,1,0|2,0,0]=4 375 B9R1.21 C(=O)C1=CC=C(CO)O1 SBB004260 [1,0,0,0,1,0|2,0,0]=4 376 B9R1.21 C(=O)C1=CN(CC)N=C1 SBB000003 [1,0,0,0,1,0|2,0,0]=4 377 B9R1.21 CCC1=CC=C(C=O)O1 SBB010056 [1,0,0,0,1,0|1,0,0]=3 378 B9R1.21 CCC1=CC=C(C=O)S1 SBB028644 [1,0,0,0,1,0|1,0,0]=3 379 B9R1.21 CCN1C=CC(C=O)=N1 SBB017363 [1,0,0,0,1,0|2,0,0]=4 380 B9R1.21 CSC1=CC=C(C=O)S1 SBB087319 [1,0,0,0,1,0|2,0,0]=4 381 B9R1.21 O=CC1=CC(CCl)=CS1 SBB002904 [1,0,0,0,1,0|2,0,0]=4 382 B11R1.20 CC(C)OC1=CC=C(Br)C=C1 SBB047818 [1,0,0,0,0,1|1,0,0]=3 383 B11R1.20 CC(C)OC1=CC=C(N)C=C1 SBB010330 [1,0,0,0,0,1|1,0,0]=3 384 B11R1.20 CC(N)CC1=CC=C(Cl)C=C1 SBB000454 [1,0,0,0,0,1|2,0,0]=4 385 B11R1.20 CC(N)CC1=CC=C(F)C=C1 SBB052387 [1,0,0,0,0,1|2,0,0]=4 386 B11R1.20 CN(C)CC1=CC=C(Br)C=C1 SBB109890 [1,0,0,0,0,1|2,0,0]=4 387 B13R1.3 CC(C)COC1=CC=C(C=O)C=C1 SBB019518 [0,0,0,0,0,2|0,0,0]=2 388 B13R1.3 CC(C)CSC1=CC=C(C=O)C=C1 SBB022490 [0,0,0,0,0,2|0,0,0]=2 389 B13R1.3 CC(C)CSC1=NC=C(C=O)C=N1 SBB302237 [0,0,0,0,0,2|2,0,0]=4 390 B13R1.3 O=CC1=CC=C(OCC(F)F)C=C1 SBB073425 [0,0,0,0,0,2|2,0,0]=4