0 B13R1.433 COC1=CC(C=O)=CC(OC)=C1Br CS21665 [0,0,0,0,0,0|1,0,0]=1 1 B13R1.433 COC1=CC(C=O)=CC(OC)=C1O CS21131 [0,0,0,0,0,0|0,0,0]=0 2 B12R1.58 C#Cc1cc(OC)cc(OC)c1 MC10404 [1,0,0,0,0,0|1,0,1]=3 3 B12R1.58 COC1=CC(C#N)=CC(OC)=C1 CS21728 [1,0,0,0,0,0|1,0,1]=3 4 B12R1.58 COC1=CC(C=O)=CC(OC)=C1 CS15790 [1,0,0,0,0,0|0,0,0]=1 5 B12R1.58 COC1=CC(C=O)=CC(OC)=N1 MC111805 [1,0,0,0,0,0|1,0,0]=2 6 B12R1.58 COC1=CC(CBr)=CC(OC)=C1 MC40550 [1,0,0,0,0,0|1,0,1]=3 7 B12R1.58 COC1=CC(CO)=CC(OC)=C1 CS19278 [1,0,0,0,0,0|0,0,2]=3 8 B12R1.58 COC1=CC(CO)=CC(OC)=N1 MC111769 [1,0,0,0,0,0|1,0,2]=4 9 B12R1.58 COC1=CC(OC)=CC(OC)=C1 CS19966 [1,0,0,0,0,0|2,0,0]=3 10 B12R1.235 COC1=CC(Br)=CC(C#N)=C1O MC106989 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.235 COC1=CC(Br)=CC(C=O)=C1O MC41093 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.235 COC1=CC(C)=CC(OC)=C1O MC41185 [1,0,0,0,0,0|0,0,1]=2 13 B12R1.235 COC1=CC(F)=CC(OC)=C1F MC110053 [1,0,0,0,0,0|2,0,0]=3 14 B12R1.300 COC1=C(O)C(C)=CC(C#N)=C1 MC105253 [1,0,0,0,0,0|1,0,1]=3 15 B12R1.300 COC1=CC(C=O)=CC(F)=C1O CS20848 [1,0,0,0,0,0|1,0,0]=2 16 B14R1.362 COC1=CC(C(=O)O)=CC(OC)=C1N MC40228 [0,1,0,0,0,0|1,0,0]=2 17 B14R1.362 COC1=CC(C(C)=O)=CC(OC)=C1O MC103320 [0,1,0,0,0,0|0,0,0]=1 18 B14R1.563 COc1cc(C=O)cc([N+](=O)[O-])c1O CS20875 [0,1,0,0,0,0|2,0,0]=3 19 B14R1.576 C#CC1=CC(OC)=C(OC)C(OC)=C1 MC443281 [0,1,0,0,0,0|1,0,1]=3 20 B14R1.576 C=CC1=C(OC)C=C(C=O)C=C1OC MC103070 [0,1,0,0,0,0|1,0,0]=2 21 B14R1.576 CCC1=C(OC)C=C(C=O)C=C1OC MC103071 [0,1,0,0,0,0|1,0,0]=2 22 B14R1.576 COC1=CC(C=O)=CC(OC)=C1OC CS16175 [0,1,0,0,0,0|0,0,0]=1 23 B14R1.576 COC1=CC(OC)=C(C=O)C(OC)=C1 CS19347 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.9 CCC1=CC(OC)=CC(=O)O1 MC106605 [2,0,0,0,0,0|2,0,0]=4 25 B11R1.9 COC1=CC(Br)=CC(OC)=C1 CS19874 [2,0,0,0,0,0|1,0,0]=3 26 B11R1.9 COC1=CC(C)=CC(C#N)=C1 CS13219 [2,0,0,0,0,0|1,0,1]=4 27 B11R1.9 COC1=CC(C)=CC(C=O)=C1 MC433444 [2,0,0,0,0,0|0,0,0]=2 28 B11R1.9 COC1=CC(C)=CC(CO)=C1 CS17199 [2,0,0,0,0,0|0,0,2]=4 29 B11R1.9 COC1=CC(C)=CC(OC)=C1 MC20844 [2,0,0,0,0,0|0,0,1]=3 30 B11R1.9 COC1=CC(C=O)=CC(Cl)=C1 CS22225 [2,0,0,0,0,0|1,0,0]=3 31 B11R1.9 COC1=CC(C=O)=CC(F)=C1 CS10960 [2,0,0,0,0,0|1,0,0]=3 32 B11R1.9 COC1=CC(Cl)=CC(OC)=C1 CS20662 [2,0,0,0,0,0|1,0,0]=3 33 B11R1.9 COC1=CC(F)=CC(OC)=C1 MC30108 [2,0,0,0,0,0|1,0,0]=3 34 B11R1.9 COC1=CC(I)=CC(OC)=C1 CS15978 [2,0,0,0,0,0|1,0,0]=3 35 B11R1.9 COC1=CC(N)=CC(OC)=C1 CS20489 [2,0,0,0,0,0|1,0,0]=3 36 B11R1.9 COC1=CC(O)=CC(OC)=C1 MC442394 [2,0,0,0,0,0|0,0,1]=3 37 B11R1.8 COC1=C(F)C(C)=CC(F)=C1 MC110198 [2,0,0,0,0,0|2,0,0]=4 38 B11R1.8 COC1=C(N)C(C)=CC(Br)=C1 MC427328 [2,0,0,0,0,0|2,0,0]=4 39 B11R1.267 CCC1=CC=CC(CC)=C1O CS21175 [2,0,0,0,0,0|2,0,0]=4 40 B11R1.267 COC1=CC=CC(C#N)=C1O MC441232 [2,0,0,0,0,0|2,0,0]=4 41 B11R1.267 COC1=CC=CC(C=O)=C1O CS21576 [2,0,0,0,0,0|2,0,0]=4 42 B11R1.267 COC1=CC=CC(OC)=C1Br CS20645 [2,0,0,0,0,0|1,0,0]=3 43 B11R1.267 COC1=CC=CC(OC)=C1Cl MC30044 [2,0,0,0,0,0|1,0,0]=3 44 B11R1.267 COC1=CC=CC(OC)=C1I CS14848 [2,0,0,0,0,0|1,0,0]=3 45 B11R1.267 COC1=CC=CC(OC)=C1N CS18207 [2,0,0,0,0,0|1,0,0]=3 46 B11R1.267 COC1=CN=CC(OC)=C1Br MC427086 [2,0,0,0,0,0|2,0,0]=4 47 B11R1.267 COC1=CN=CC(OC)=C1N MC443184 [2,0,0,0,0,0|2,0,0]=4 48 B11R1.267 COC1=NC=CC(OC)=C1Br MC427595 [2,0,0,0,0,0|2,0,0]=4 49 B11R1.14 CC1=CC(C#N)=CC(C)=C1O CS21714 [2,0,0,0,0,0|1,0,1]=4 50 B11R1.14 CC1=CC(C=O)=CC(C)=C1Br CS21651 [2,0,0,0,0,0|1,0,0]=3 51 B11R1.14 CC1=CC(C=O)=CC(C)=C1O CS21079 [2,0,0,0,0,0|0,0,0]=2 52 B11R1.14 O=CC1=CC(Br)=C(O)C(F)=C1 CS16316 [2,0,0,0,0,0|2,0,0]=4 53 B11R1.14 O=CC1=CC(Br)=C(O)C(O)=C1 MC442474 [2,0,0,0,0,0|1,0,0]=3 54 B11R1.14 O=CC1=CC(Cl)=C(O)C(Cl)=C1 CS19903 [2,0,0,0,0,0|2,0,0]=4 55 B11R1.14 O=CC1=CC(F)=C(O)C(F)=C1 CS20018 [2,0,0,0,0,0|2,0,0]=4 56 B11R1.14 O=CC1=CC(I)=C(O)C(I)=C1 MC433433 [2,0,0,0,0,0|2,0,0]=4 57 B11R1.14 O=CC1=CC(O)=C(O)C(O)=C1 CS21918 [2,0,0,0,0,0|0,0,0]=2 58 B11R1.280 C=CC1=CC(OC)=C(O)C=C1 CS21640 [2,0,0,0,0,0|1,0,0]=3 59 B11R1.280 CCC1=C(O)C=CC(C=O)=C1 MC441223 [2,0,0,0,0,0|1,0,0]=3 60 B11R1.280 COC1=C(C)C=CC(C=O)=C1 CS21938 [2,0,0,0,0,0|1,0,0]=3 61 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 CS15135 [2,0,0,0,0,0|1,0,0]=3 62 B11R1.280 COC1=C(F)C=CC(C=O)=C1 MC429581 [2,0,0,0,0,0|1,0,0]=3 63 B11R1.280 COC1=C(O)C=CC(C#N)=C1 MC40664 [2,0,0,0,0,0|1,0,1]=4 64 B11R1.280 COC1=C(O)C=CC(C=O)=C1 CS13553 [2,0,0,0,0,0|0,0,0]=2 65 B11R1.280 COC1=C(O)C=CC(CN)=C1 CS22873 [2,0,0,0,0,0|1,0,1]=4 66 B11R1.280 COC1=C(O)C=CC(CO)=C1 MC40721 [2,0,0,0,0,0|0,0,2]=4 67 B11R1.280 COC1=CC(OC)=C(O)C=C1 CS21112 [2,0,0,0,0,0|2,0,0]=4 68 B13R1.313 COC1=CC(OC)=CC(B(O)O)=C1 CS20474 [1,1,0,0,0,0|1,0,1]=4 69 B13R1.313 COC1=CC(OC)=CC(C(=O)O)=C1 CS13520 [1,1,0,0,0,0|0,0,0]=2 70 B13R1.313 COC1=CC(OC)=NC(C(=O)O)=N1 CS22512 [1,1,0,0,0,0|2,0,0]=4 71 B13R1.358 COC1=CC(CC#N)=CC(OC)=C1 CS10015 [1,1,0,0,0,0|1,0,1]=4 72 B13R1.302 COC1=CC(Br)=CC(OC)=C1C=O MC31048 [1,1,0,0,0,0|1,0,1]=4 73 B13R1.302 COC1=CC(Br)=CC(OC)=C1OC CS19891 [1,1,0,0,0,0|1,0,0]=3 74 B13R1.302 COC1=CC(N)=CC(OC)=C1OC CS21919 [1,1,0,0,0,0|1,0,0]=3 75 B13R1.302 COC1=CC(O)=CC(OC)=C1C=O CS21121 [1,1,0,0,0,0|0,0,2]=4 76 B13R1.298 COC1=CC(C(=O)O)=CC(Cl)=C1O MC40256 [1,1,0,0,0,0|1,0,0]=3 77 B13R1.425 COC1=CC(C=O)=C(F)C(F)=C1C MC102560 [1,1,0,0,0,0|2,0,0]=4 78 B13R1.3981 CCOC1=CC(C=O)=CC(Br)=C1O MC41091 [1,1,0,0,0,0|1,0,0]=3 79 B15R1.378 COC1=CC(B(O)O)=CC(OC)=C1OC CS10908 [0,2,0,0,0,0|1,0,1]=4 80 B15R1.378 COC1=CC(C(=O)Cl)=CC(OC)=C1OC MC40506 [0,2,0,0,0,0|0,0,0]=2 81 B15R1.378 COC1=CC(C(=O)O)=CC(OC)=C1OC MC40316 [0,2,0,0,0,0|0,0,0]=2 82 B15R1.383 COC(=O)C1=CC(OC)=C(O)C(OC)=C1 CS11134 [0,2,0,0,0,0|0,0,0]=2 83 B15R1.393 COC1=C(O)C([N+](=O)[O-])=CC(C(=O)O)=C1 CS16277 [0,2,0,0,0,0|2,0,0]=4 84 B15R1.690 COC1=CC(C(=O)O)=C(F)C(OC)=C1F MC20728 [0,2,0,0,0,0|1,0,0]=3 85 B15R1.10175 COC1=CC(OC)=C(B(O)O)C(OC)=C1 MC442891 [0,2,0,0,0,0|2,0,0]=4 86 B15R1.10175 COC1=CC(OC)=C(C(=O)O)C(OC)=C1 CS11133 [0,2,0,0,0,0|2,0,0]=4 87 B13R1.2422 COC1=C(Cl)C(OC)=C(C=O)C=C1 MC443204 [0,0,0,0,1,1|1,0,0]=3