0 B11R1.53 C#CC1=C(C(C)=O)C=CC=C1 BB31-9300 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.53 CCC1=C(C(=O)O)C=CC=N1 BB31-5819 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.53 CNC1=C(C(C)=O)C=CC=C1 BB32-0506 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.53 N#CC1=CC=CN=C1C(=O)O BB31-5787 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.20 C#CC1=NC=CN=C1OC BB31-9718 [1,0,0,0,0,0|1,0,2]=4 5 B10R1.20 CNC1=NC=CC=C1C=O BB52-1560 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.20 COC1=C(CO)N=CC=C1 BB32-2504 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.20 COC1=NC=CN=C1NN BB31-4174 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.20 N#CC1=C(C=O)C=CC=N1 BB31-1904 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.61 CC(=O)C1=C(Br)C=NC=N1 BB31-1060 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.61 CC(=O)C1=CC=CN=C1Br BB31-6615 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.61 NC(=O)C1=CC=CN=C1S BB32-2901 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.46 COC1=C(C(=O)O)N=C(Br)C=C1 BB31-1255 [0,1,0,0,0,0|3,0,0]=4 13 B12R1.46 COC1=NC=C(Br)C=C1C(C)=O BB31-1252 [0,1,0,0,0,0|2,0,0]=3 14 B12R1.57 COC1=C(C(=O)O)C=CC(Br)=N1 BB31-9317 [0,1,0,0,0,0|3,0,0]=4 15 B12R1.57 COC1=C(C(=O)O)C=CC(N)=N1 BB31-8765 [0,1,0,0,0,0|3,0,0]=4 16 B12R1.57 COC1=CC(Br)=CN=C1C(=O)O BB31-0395 [0,1,0,0,0,0|3,0,0]=4 17 B12R1.77 COC(=O)C1=C(CBr)C=CC=N1 BB31-0495 [0,1,0,0,0,0|2,0,0]=3 18 B12R1.77 COC(=O)C1=CC=CN=C1CBr BB31-0496 [0,1,0,0,0,0|2,0,0]=3 19 B12R1.87 CCC1=C(Br)C=CC=C1C(=O)O BB31-5768 [0,1,0,0,0,0|3,0,0]=4 20 B12R1.261 CC(=O)C1=C(N(C)C)C=CC=C1 BB31-9433 [0,1,0,0,0,0|3,0,0]=4 21 B12R1.261 CC(=O)C1=C([N+](=O)[O-])C=CC=N1 BB32-0813 [0,1,0,0,0,0|3,0,0]=4 22 B12R1.261 CC(=O)C1=CC=CN=C1C(=O)O BB32-3805 [0,1,0,0,0,0|2,0,1]=4 23 B12R1.283 CCOC1=NC=CC=C1C(=O)O BB52-2370 [0,1,0,0,0,0|2,0,0]=3 24 B12R1.283 COCC1=C(C(=O)O)C=CC=C1 BB31-6470 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.283 NCCC1=C(C(=O)O)C=CC=C1 BB31-8485 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.437 COC1=C(C(C)=O)C(C)=CC=C1 BB31-5048 [0,1,0,0,0,0|3,0,0]=4 27 B12R2.1081 N[C@@H]1CCCC2=CC=CN=C21 BB31-9835 [0,0,0,1,0,0|2,0,1]=4 28 B12R2.1081 O=C1CCCC2=C1C=CN=C2 BB31-7974 [0,0,0,1,0,0|3,0,0]=4 29 B12R2.1081 O=C1CCOC2=CC=CN=C12 BB31-7810 [0,0,0,1,0,0|2,0,0]=3 30 B12R2.1081 O=C1COCC2=C1C=CC=C2 BB31-4135 [0,0,0,1,0,0|3,0,0]=4 31 B12R2.2028 NC1CC(=O)C2=C1C=CC=C2 BB32-0444 [0,0,0,1,0,0|3,0,0]=4 32 B9R1.15 C=CC1=NC=CC=C1C BB32-1725 [2,0,0,0,0,0|1,0,1]=4 33 B9R1.15 CC1=NC=CN=C1C=O BB32-1077 [2,0,0,0,0,0|0,0,0]=2 34 B9R1.15 CC1=NC=CN=C1NN BB31-3883 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.15 CNC1=NC=CC=C1C BB32-0851 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.15 CNC1=NC=CN=C1N BB31-6704 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.15 COC1=NC=CN=C1Br BB31-9027 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.15 NC1=CC=CN=C1C=O BB31-4893 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.15 NC1=NC=CN=C1C=O BB31-5072 [2,0,0,0,0,0|1,0,0]=3 40 B9R1.6 C=C(C)C1=CC=CN=C1 BB32-0833 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.6 CC(=O)C1=NC=NC=C1 BB32-1309 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.6 CC(=O)C1=NN=CC=C1 BB31-8246 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.41 CCOC1=C(C=O)C=CC=N1 BB31-6380 [1,1,0,0,0,0|1,0,0]=3 44 B11R1.156 CC(=O)C1=C(Cl)C=CN=C1Cl BB31-1083 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.159 CC1=C(Br)C=CN=C1C(=O)O BB31-7750 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.166 CC(=O)C1=C(Cl)C=C(Cl)C=N1 BB31-2675 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.166 CC(=O)C1=C(F)C=C(F)C=N1 BB31-9256 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.166 CC(=O)C1=CN=C(N)N=C1C BB52-6467 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.166 CC(=O)C1=CN=C(O)N=C1C BB52-6466 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.166 CC(=O)C1=CN=C(S)N=C1C BB52-6465 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.166 CC1=C(C(=O)O)C=CC(Br)=N1 BB31-9078 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.166 CC1=CN=C(C(=O)O)C(C)=C1 BB32-2407 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.166 CC1=CN=C(C(=O)O)C(N)=N1 BB31-7213 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.166 NC1=C(C(=O)O)N=CC(Cl)=N1 BB31-1452 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.167 CC(=O)C1=C(Br)C=CC(F)=N1 BB31-3520 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.167 CC(=O)C1=CC(C)=CN=C1Cl BB31-6408 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.167 CC1=C(C(=O)O)N=C(Br)C=C1 BB31-9291 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.167 CC1=CC=C(C)C(C(=O)O)=N1 BB31-6680 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.167 NC(=O)C1=NC(Cl)=CN=C1Cl BB31-0314 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.167 NC(=O)C1=NC(F)=CN=C1F BB32-2152 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.167 O=C(O)C1=NC(Cl)=CN=C1Cl BB32-2151 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.222 CCC(=O)C1=C(Cl)N=CC=C1 BB52-7664 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.222 CNC(=O)C1=NC=CC=C1O BB31-1334 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.222 CNC(=O)C1=NC=CN=C1N BB31-7877 [1,1,0,0,0,0|1,0,0]=3 65 B11R1.59 COC(=O)C1=C(CO)NC=N1 BB31-6228 [0,1,0,0,1,0|1,0,1]=4 66 B13R1.2065 COC(=O)C1=C(OC)N=C(Br)C=C1 BB31-0154 [0,2,0,0,0,0|2,0,0]=4 67 B13R1.2065 COC(=O)C1=NC=C(Br)C=C1OC BB31-0394 [0,2,0,0,0,0|2,0,0]=4 68 B13R1.107 CCC1=C(C(=O)OC)C=CC=C1O BB31-3614 [0,2,0,0,0,0|2,0,0]=4 69 B11R1.57 CCC1=NC=CN1CC(C)=O BB52-8505 [0,0,1,1,0,0|0,0,2]=4 70 B11R2.1 CC1=NNC2=NC=CN=C12 BB31-9236 [1,0,0,1,0,0|2,0,0]=4 71 B11R2.20 C1=CN=C2NCCCC2=C1 BB31-5477 [1,0,0,1,0,0|2,0,0]=4 72 B11R2.20 C1=CN=C2OCCCC2=C1 BB31-4408 [1,0,0,1,0,0|2,0,0]=4 73 B11R2.106 O=C1CCCC2=C1C=NO2 BB31-6029 [0,0,0,1,1,0|2,0,0]=4 74 B11R2.106 O=C1CCCC2=CNC=C12 BB52-7004 [0,0,0,1,1,0|2,0,0]=4 75 B11R2.106 O=C1NCCN2N=CC=C12 BB31-7526 [0,0,0,1,1,0|2,0,0]=4 76 B11R2.202 NC1CC(=O)C2=C1C=CS2 BB31-8269 [0,0,0,1,1,0|2,0,0]=4 77 B13R2.163 O=C1CCCC2=C(C=CC=C2)O1 BB31-4594 [0,0,0,1,0,1|2,0,0]=4 78 B13R2.163 O=C1CCCC2=CC=CN=C2N1 BB31-7293 [0,0,0,1,0,1|1,0,0]=3 79 B13R2.162 O=C1CCCC2=NC=C(Cl)C=C12 BB31-1797 [0,1,0,1,0,0|1,0,0]=3 80 B13R2.162 O=C1NCCC2=NC=C(Br)C=C12 BB32-1185 [0,1,0,1,0,0|2,0,0]=4 81 B13R2.5179 O=C1C=CC2=C(CCCC2=O)N1 BB52-6531 [0,1,0,1,0,0|1,0,1]=4 82 B13R2.5179 O=C1CCNC2=C1C=CC(Br)=N2 BB32-3439 [0,1,0,1,0,0|2,0,0]=4 83 B13R2.5179 O=C1NCCC2=C1C=CC(Cl)=N2 BB31-0822 [0,1,0,1,0,0|2,0,0]=4 84 B13R2.371 O=C1CCC(O)C2=C1C=CC=C2 BB31-4158 [0,1,0,1,0,0|2,0,0]=4 85 B13R2.1613 O\N=C1\CCCC2=CC=CN=C21 BB32-3071 [0,1,0,1,0,0|1,0,1]=4 86 B13R2.5252 O=C1CCNCC2=C1C=CC=C2 BB31-9636 [0,1,0,1,0,0|2,0,0]=4 87 B13R2.342 O=C1CCCC2=C(F)C=CC=C12 BB31-4880 [0,1,0,1,0,0|2,0,0]=4 88 B13R2.4818 O=C1CCCC2=CC=CC(O)=C12 BB31-7102 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.14 CCN1C=CN=C1C=O BB52-0220 [1,0,0,0,1,0|1,0,0]=3 90 B9R1.14 COC1=C(C=O)OC=C1 BB32-1842 [1,0,0,0,1,0|2,0,0]=4 91 B9R1.41 CC(=O)C1=CNC=C1C BB31-4047 [1,0,0,0,1,0|2,0,0]=4 92 B9R1.41 CN1N=CN=C1C(=O)O BB32-3983 [1,0,0,0,1,0|2,0,0]=4