0 B12R1.286 C=CCC1=CC(OC)=C(O)C=C1 026178S [0,0,0,0,0,0|0,0,0]=0 1 B12R1.286 C\C=C\C1=CC(OC)=C(O)C=C1 025366 [0,0,0,0,0,0|0,0,2]=2 2 B11R1.189 COC1=CC(CC#N)=CC=C1 CS-696 [1,0,0,0,0,0|1,0,1]=3 3 B11R1.189 COC1=CC(CNN)=CC=C1 08-5357 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.192 C=CCC1=CC(O)=C(O)C=C1 06-1778 [1,0,0,0,0,0|0,0,0]=1 5 B11R1.192 OCCC1=CC(O)=C(O)C=C1 024999S [1,0,0,0,0,0|1,0,1]=3 6 B11R1.280 C=CC1=CC(OC)=C(O)C=C1 CS-710 [1,0,0,0,0,0|0,0,0]=1 7 B11R1.280 COC1=C(C)C=CC(CN)=C1 08-10250 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.280 COC1=C(F)C=CC(C#N)=C1 26-964 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.280 COC1=C(F)C=CC(C=O)=C1 26-958 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.280 COC1=C(O)C=CC(C#N)=C1 CS-572 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.280 COC1=C(O)C=CC(C=O)=C1 19-2865 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.280 COC1=C(O)C=CC(CN)=C1 CS-568 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.280 COC1=C(O)C=CC(CO)=C1 01-1523 [1,0,0,0,0,0|1,0,0]=2 14 B11R1.280 COC1=CC(OC)=C(Br)C=C1 08-1650 [1,0,0,0,0,0|2,0,1]=4 15 B13R1.49 COC(=O)C1=CC(OC)=C(O)C=C1 06-035 [0,1,0,0,0,0|1,0,2]=4 16 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 026088 [0,1,0,0,0,0|1,0,0]=2 17 B13R1.386 C=CCC1=CC(OC)=C(OC)C=C1 025180S [0,1,0,0,0,0|0,0,0]=1 18 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 CS-443 [0,1,0,0,0,0|1,0,1]=3 19 B13R1.575 COC1=C(O)C=CC(\C=C\C=O)=C1 06-1783 [0,1,0,0,0,0|0,0,1]=2 20 B13R1.575 COC1=C(O)C=CC(\C=C\CO)=C1 026028 [0,1,0,0,0,0|0,0,2]=3 21 B13R2.449 N#CCC1=CC2=C(C=C1)OCO2 CS-782 [0,0,0,1,0,0|1,0,1]=3 22 B13R2.599 COC1=C(Br)C=C2C=NNC2=C1 08-2945 [0,0,0,1,0,0|3,0,0]=4 23 B13R2.599 COC1=C(Cl)C=C2C=CNC2=C1 BIO-589 [0,0,0,1,0,0|2,0,0]=3 24 B10R1.10 CC1=CC=CC(CCN)=C1 08-10151 [2,0,0,0,0,0|1,0,1]=4 25 B10R1.172 COC1=CC(C#N)=CC=C1 CS-642 [2,0,0,0,0,0|1,0,1]=4 26 B10R1.172 COC1=CC(C=O)=CN=C1 08-2669 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.172 COC1=CC(C=O)=NC=C1 08-6071 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.172 COC1=CC(CN)=NC=C1 08-6075 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.172 COC1=CC(CO)=CC=C1 CS-651 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.172 COC1=CC=CC(OC)=C1 CS-398 [2,0,0,0,0,0|1,0,1]=4 31 B10R1.172 COC1=CN=CC(CN)=C1 08-8117 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.172 COC1=CN=CC(CO)=C1 08-8532 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.172 COC1=NC=CC(C=O)=C1 08-6069 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.172 COC1=NC=CC(CN)=C1 08-5432 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.172 COC1=NC=CC(CN)=C1 19-2531 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.172 COC1=NC=CC(CO)=C1 08-6076 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.1 NCCC1=CC=C(O)C=C1 025567 [2,0,0,0,0,0|1,0,1]=4 38 B10R1.1 OC1=CC=C(CCBr)C=C1 08-10497 [2,0,0,0,0,0|1,0,1]=4 39 B10R1.1 OCCC1=CC=C(O)C=C1 024834 [2,0,0,0,0,0|1,0,1]=4 40 B10R1.176 CC1=C(F)C=CC(C=O)=C1 07-404 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.176 CC1=C(F)C=CC(CBr)=C1 07-419 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.176 CC1=C(F)C=CC(CN)=C1 07-416 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.176 CC1=C(F)C=CC(CO)=C1 07-412 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.176 N#CC1=CC(O)=C(O)C=C1 CS-347 [2,0,0,0,0,0|1,0,1]=4 45 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 01-328 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.176 O=CC1=CC(F)=C(O)C=C1 21-329 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.176 O=CC1=CC(O)=C(O)C=C1 026045 [2,0,0,0,0,0|1,0,0]=3 48 B10R1.30 CC1=CC(C=O)=C(O)C=C1 19-456 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.30 CCC1=C(O)C=CC(O)=C1 E-003 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.30 COC1=C(C)C=CC(F)=C1 26-3718 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.30 COC1=C(Cl)C=CC(O)=C1 08-10599 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.30 COC1=C(F)C=CC(C)=C1 07-402 [2,0,0,0,0,0|1,0,0]=3 53 B10R1.30 COC1=C(F)C=CC(F)=C1 03-019 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.30 COC1=C(F)C=CC(N)=C1 26-3675 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.30 COC1=C(O)C=CC(F)=C1 07-400 [2,0,0,0,0,0|1,0,0]=3 56 B10R1.30 COC1=C(O)C=CC(O)=C1 CS-660 [2,0,0,0,0,0|1,0,0]=3 57 B12R1.382 C=CCOC1=CC=CC(C=O)=C1 08-10566 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 CS-693 [1,1,0,0,0,0|0,0,1]=3 59 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 19-866 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.19 O=C(O)CC1=CC(Cl)=C(O)C=C1 CS-194 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.19 O=C(O)CC1=CC(F)=C(O)C=C1 26-3625 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 022073 [1,1,0,0,0,0|1,0,0]=3 63 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 26-3683 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.56 COC1=C(F)C=CC(C(C)=O)=C1 26-3672 [1,1,0,0,0,0|1,0,1]=4 65 B12R1.56 COC1=C(N)C=CC(C(=O)O)=C1 CS-071 [1,1,0,0,0,0|2,0,0]=4 66 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 01-909 [1,1,0,0,0,0|1,0,0]=3 67 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 026002 [1,1,0,0,0,0|0,0,1]=3 68 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 CS-406 [1,1,0,0,0,0|1,0,1]=4 69 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 CS-393 [1,1,0,0,0,0|1,0,0]=3 70 B12R1.78 COC1=C(OC)C=C(CO)C=C1 CS-420 [1,1,0,0,0,0|1,0,0]=3 71 B12R1.78 COC1=CC(OC)=C(CO)C=C1 CS-419 [1,1,0,0,0,0|1,0,1]=4 72 B12R1.78 COC1=CC(OC)=C(OC)C=C1 CS-944 [1,1,0,0,0,0|1,0,1]=4 73 B12R1.300 COC1=C(O)C(O)=CC(C=O)=C1 19-915 [1,1,0,0,0,0|1,0,0]=3 74 B12R1.300 COC1=CC(C=O)=CC(Br)=C1O B-006 [1,1,0,0,0,0|1,0,0]=3 75 B12R1.300 COC1=CC(C=O)=CC(Cl)=C1O CS-233 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.300 COC1=CC(C=O)=CC(I)=C1O I-001 [1,1,0,0,0,0|1,0,0]=3 77 B12R1.449 COC1=C(Br)C=C(Br)C(C=O)=C1 22-417 [1,1,0,0,0,0|2,0,0]=4 78 B12R1.449 COC1=CC(C=O)=C(Br)C=C1O 19-1140 [1,1,0,0,0,0|1,0,0]=3 79 B12R1.449 COC1=CC(C=O)=C(Br)C=C1O 19-631 [1,1,0,0,0,0|1,0,0]=3 80 B14R1.41 COC1=C(O)C=CC([C@@H](O)C(=O)O)=C1 19-2305 [0,2,0,0,0,0|1,0,0]=3 81 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 19-411 [0,2,0,0,0,0|1,0,0]=3 82 B14R1.3651 COC1=C(OC)C=C(CC(C)=O)C=C1 CS-442 [0,2,0,0,0,0|0,0,1]=3 83 B14R1.3651 COC1=C(OC)C=C(CC(N)=O)C=C1 CS-438 [0,2,0,0,0,0|1,0,0]=3 84 B14R1.42 COC1=C(O)C=CC(CCC(C)=O)=C1 06-1343 [0,2,0,0,0,0|0,0,1]=3 85 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 19-2264 [0,2,0,0,0,0|0,0,1]=3 86 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 F-001 [0,2,0,0,0,0|0,0,1]=3 87 B14R1.42 COC1=C(O)C=CC(\C=C\C(N)=O)=C1 CS-576 [0,2,0,0,0,0|0,0,1]=3 88 B12R2.44 COC1=CC2=C(C=C1)C=NN2 08-5413 [1,0,0,1,0,0|2,0,0]=4 89 B12R2.315 COC1=C2C=CNC2=CC=C1 08-1173 [1,0,0,1,0,0|1,0,0]=3 90 B12R2.315 COC1=C2C=NNC2=CC=C1 08-7679 [1,0,0,1,0,0|2,0,0]=4 91 B12R2.315 COC1=C2NC=CC2=CC=C1 08-1175 [1,0,0,1,0,0|1,0,1]=4 92 B14R2.1008 CC(=O)OC1=CC2=C(C=C1)OCO2 01-1131 [0,1,0,1,0,0|1,0,1]=4