0 B13R1.547 COC(=O)C1=C(C(=O)O)C=CN=C1 BB32-1480 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.77 COC(=O)C1=C(CBr)C=CC=N1 BB31-0495 [1,0,0,0,0,0|3,0,0]=4 2 B12R1.77 COC(=O)C1=C(NN)C=CC=C1 BB32-0966 [1,0,0,0,0,0|1,0,0]=2 3 B12R1.77 COC(=O)C1=CC=CN=C1CBr BB31-0496 [1,0,0,0,0,0|3,0,0]=4 4 B12R1.261 CC(=O)C1=C(N(C)C)C=CC=C1 BB31-9433 [1,0,0,0,0,0|0,0,0]=1 5 B12R1.261 CC(=O)C1=CC=CN=C1C(=O)O BB32-3805 [1,0,0,0,0,0|3,0,0]=4 6 B14R1.707 COC(=O)C1=C(B(O)O)C=CC(C)=C1 BB31-1195 [0,1,0,0,0,0|3,0,0]=4 7 B14R1.707 COC(=O)C1=CC(N)=CC=C1N(C)C BB12-6152 [0,1,0,0,0,0|0,0,0]=1 8 B14R1.745 COC(=O)C1=C(S(C)(=O)=O)C=CC=C1 BB31-3912 [0,1,0,0,0,0|2,0,0]=3 9 B14R1.746 CNC(=O)C1=C(C(=O)NC)C=CC=C1 BB32-0546 [0,1,0,0,0,0|3,0,0]=4 10 B14R1.746 COC(=O)C1=C(C(=O)OC)C=NC=C1 BB31-3728 [0,1,0,0,0,0|3,0,0]=4 11 B14R1.1126 COC(=O)C1=C([N+](=O)[O-])C=C(O)C=C1 BB31-3687 [0,1,0,0,0,0|2,0,1]=4 12 B14R1.1153 COC(=O)C1=C(C(=O)O)C(N)=CC=C1 BB31-5655 [0,1,0,0,0,0|3,0,0]=4 13 B14R1.1153 COC(=O)C1=CC=CC(N)=C1[N+](=O)[O-] BB32-0246 [0,1,0,0,0,0|2,0,1]=4 14 B14R1.1164 COC(=O)C1=C([N+](=O)[O-])C=CC=C1N BB31-6208 [0,1,0,0,0,0|2,0,1]=4 15 B14R2.29285 CC1(C)CCC(=O)C2=C1C=CC=C2 BB32-0949 [0,0,0,1,0,0|2,0,0]=3 16 B14R1.744 COC(=O)C1=C(CN(C)C)C=CC=C1 BB31-6205 [0,0,0,0,0,1|0,0,0]=1 17 B11R1.53 C#CC1=C(C(C)=O)C=CC=C1 BB31-9300 [2,0,0,0,0,0|1,0,1]=4 18 B11R1.53 CC(C)C1=C(C=O)C=CC=C1 BB31-4875 [2,0,0,0,0,0|1,0,0]=3 19 B11R1.53 CCC1=C(C(=O)O)C=CC=N1 BB31-5819 [2,0,0,0,0,0|2,0,0]=4 20 B11R1.53 CN(C)C1=C(CO)C=CC=C1 BB32-2780 [2,0,0,0,0,0|0,0,1]=3 21 B11R1.53 CNC1=C(C(C)=O)C=CC=C1 BB32-0506 [2,0,0,0,0,0|0,0,0]=2 22 B11R1.222 CC1=C(C(=O)C=O)C=CC=C1 BB32-3322 [2,0,0,0,0,0|2,0,0]=4 23 B11R1.222 COC(=O)C1=C(N)N=NC=C1 BB31-1227 [2,0,0,0,0,0|2,0,0]=4 24 B13R1.107 CCC1=C(C(=O)OC)C=CC=C1O BB31-3614 [1,1,0,0,0,0|1,0,0]=3 25 B13R1.107 COC(=O)C1=C(C=O)C(O)=CC=C1 BB31-1887 [1,1,0,0,0,0|2,0,0]=4 26 B13R1.107 COC(=O)C1=CC=CC(Br)=C1OC BB31-4376 [1,1,0,0,0,0|1,0,0]=3 27 B13R1.107 COC(=O)C1=CC=CC(F)=C1C#N BB31-1514 [1,1,0,0,0,0|2,0,0]=4 28 B13R1.382 COC(=O)C1=C(NC=O)C=CC=C1 BB31-6239 [1,1,0,0,0,0|0,0,1]=3 29 B13R1.2065 COC(=O)C1=C(C#N)C=C(Br)C=C1 BB31-2340 [1,1,0,0,0,0|2,0,0]=4 30 B13R1.2065 COC(=O)C1=C(C#N)C=C(N)C=C1 BB31-3173 [1,1,0,0,0,0|2,0,0]=4 31 B13R1.2065 COC(=O)C1=C(OC)C=C(O)C=C1 BB31-4474 [1,1,0,0,0,0|1,0,0]=3 32 B13R1.2065 COC(=O)C1=C(OC)N=C(Br)C=C1 BB31-0154 [1,1,0,0,0,0|2,0,0]=4 33 B13R1.2065 COC(=O)C1=NC=C(Br)C=C1OC BB31-0394 [1,1,0,0,0,0|2,0,0]=4 34 B13R1.2209 CNC1=C(C(=O)OC)C=C(C)C=C1 BB32-2766 [1,1,0,0,0,0|0,0,0]=2 35 B13R1.2357 CNC1=CC=CC(Cl)=C1C(=O)OC BB31-9953 [1,1,0,0,0,0|0,0,0]=2 36 B13R1.2357 COC(=O)C1=C(Br)C=CC=C1OC BB32-1413 [1,1,0,0,0,0|1,0,0]=3 37 B13R1.2357 COC(=O)C1=C(C#N)C=CC=C1C BB31-1790 [1,1,0,0,0,0|2,0,0]=4 38 B13R1.165 CN(C)C1=C(C(=O)O)C=C(N)C=C1 BB51-3003 [1,1,0,0,0,0|0,0,0]=2 39 B13R1.165 CN(C)C1=C(C(=O)O)C=C(N)C=N1 BB51-3011 [1,1,0,0,0,0|1,0,0]=3 40 B13R1.165 CN(C)C1=C([N+](=O)[O-])C=C(I)C=C1 BB12-5135 [1,1,0,0,0,0|1,0,1]=4 41 B13R1.165 CN(C)C1=CC=C(N)C=C1C(N)=O BB12-6119 [1,1,0,0,0,0|1,0,0]=3 42 B13R1.349 CC(C)(C)C1=C(C(=O)O)C=CC=C1 BB31-7923 [1,1,0,0,0,0|1,0,0]=3 43 B15R1.986 COC(=O)C1=NC=CC=C1C(OC)OC BB32-0282 [0,2,0,0,0,0|2,0,0]=4 44 B15R1.765 CCOC(=O)C1=CC(N)=CC=C1N(C)C BB12-6153 [0,2,0,0,0,0|0,0,0]=2 45 B15R1.38521 COC(=O)C1=C(C(=O)OC)C=C(I)C=C1 BB32-3516 [0,2,0,0,0,0|2,0,0]=4 46 B15R1.38521 COC(=O)C1=C(C(=O)OC)C=C(N)C=C1 BB32-2725 [0,2,0,0,0,0|2,0,0]=4 47 B13R2.371 O=C1COC(=O)C2=C1C=CC=C2 BB32-3544 [1,0,0,1,0,0|2,0,0]=4 48 B13R2.5514 O=C(O)C1=C(C2CC2)C=CC=C1 BB31-8015 [1,0,0,1,0,0|1,0,0]=3 49 B15R2.19309 COC(=O)C1=C2C=C(C)NC2=CC=C1 BB31-7995 [0,0,0,1,0,1|2,0,0]=4 50 B15R2.19310 COC(=O)C1=C2C(=O)NCC2=CC=C1 BB31-7257 [0,1,0,1,0,0|2,0,0]=4 51 B13R1.91 C#CC1=C(CC(=O)OC)C=CC=C1 BB32-3607 [1,0,0,0,0,1|1,0,1]=4 52 B13R1.91 COC(=O)CC1=C(C=O)C=CC=C1 BB32-3121 [1,0,0,0,0,1|2,0,0]=4 53 B13R1.543 COC(=O)C1=CC(C(C)N)=CC=C1 BB31-1563 [0,0,0,0,1,1|2,0,0]=4