0 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 CS19593 [1,0,0,0,0,0|1,0,0]=2 1 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 MC433954 [1,0,0,0,0,0|0,0,0]=1 2 B13R1.52 N#CC1=C(Cl)C=CC(CC(=O)O)=C1 MC40153 [1,0,0,0,0,0|3,0,0]=4 3 B13R1.52 N#CC1=C(F)C=CC(CC(=O)O)=C1 MC433945 [1,0,0,0,0,0|3,0,0]=4 4 B13R1.510 NC(C(=O)O)C1=CC(F)=C(F)C=C1 MC429427 [1,0,0,0,0,0|3,0,0]=4 5 B15R2.4239 NC(C(=O)O)C1=CC2=C(C=C1)OCO2 MC105743 [0,0,0,1,0,0|1,0,0]=2 6 B15R2.4239 O=C(O)C(O)c1ccc2c(c1)OCO2 MC428252 [0,0,0,1,0,0|0,0,0]=1 7 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=C1 CS22663 [2,0,0,0,0,0|1,0,1]=4 8 B12R1.56 COC1=C(C)C=CC(B(O)O)=C1 MC21120 [2,0,0,0,0,0|2,0,0]=4 9 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 CS21939 [2,0,0,0,0,0|1,0,1]=4 10 B12R1.56 COC1=C(Cl)C=CC(B(O)O)=C1 CS12284 [2,0,0,0,0,0|2,0,0]=4 11 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 CS20832 [2,0,0,0,0,0|1,0,1]=4 12 B12R1.56 COC1=C(F)C=CC(B(O)O)=C1 CS12285 [2,0,0,0,0,0|2,0,0]=4 13 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 CS16067 [2,0,0,0,0,0|1,0,1]=4 14 B12R1.56 COC1=C(N)C=CC(C(=O)O)=C1 CS21016 [2,0,0,0,0,0|1,0,1]=4 15 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 MC442694 [2,0,0,0,0,0|1,0,0]=3 16 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 CS20951 [2,0,0,0,0,0|0,0,1]=3 17 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 CS14549 [2,0,0,0,0,0|1,0,1]=4 18 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 CS20340 [2,0,0,0,0,0|1,0,1]=4 19 B12R1.286 COC1=C(O)C=CC(CCN)=C1 MC437967 [2,0,0,0,0,0|1,0,1]=4 20 B12R1.286 COC1=C(O)C=CC(CCN)=C1 MC443853 [2,0,0,0,0,0|1,0,1]=4 21 B12R1.19 CC1=C(Br)C=CC(CC(=O)O)=C1 MC40151 [2,0,0,0,0,0|1,0,0]=3 22 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 MC21107 [2,0,0,0,0,0|1,0,0]=3 23 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 MC433950 [2,0,0,0,0,0|1,0,0]=3 24 B12R1.19 O=C(O)CC1=CC(Br)=C(F)C=C1 CS18834 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 MC40146 [2,0,0,0,0,0|1,0,0]=3 26 B12R1.19 O=C(O)CC1=CC(Cl)=C(Cl)C=C1 CS20693 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 CS10724 [2,0,0,0,0,0|2,0,0]=4 28 B12R1.19 O=C(O)CC1=CC(F)=C(Br)C=C1 CS12651 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.19 O=C(O)CC1=CC(F)=C(Cl)C=C1 CS22756 [2,0,0,0,0,0|2,0,0]=4 30 B12R1.19 O=C(O)CC1=CC(F)=C(F)C=C1 MC40163 [2,0,0,0,0,0|2,0,0]=4 31 B12R1.19 O=C(O)CC1=CC(F)=C(O)C=C1 MC40167 [2,0,0,0,0,0|1,0,0]=3 32 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 CS20953 [2,0,0,0,0,0|0,0,0]=2 33 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 MC40182 [2,0,0,0,0,0|0,0,0]=2 34 B12R1.438 COC1=CC=CC(CC(=O)O)=N1 MC432368 [2,0,0,0,0,0|1,0,0]=3 35 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 CS22343 [2,0,0,0,0,0|1,0,0]=3 36 B12R1.438 N#CC1=CC=CC(CC(=O)O)=C1 CS22261 [2,0,0,0,0,0|2,0,0]=4 37 B12R1.438 O=C(O)CC1=CC(CBr)=CC=C1 CS15773 [2,0,0,0,0,0|2,0,0]=4 38 B12R1.438 O=CC1=CC=CC(CC(=O)O)=C1 MC442713 [2,0,0,0,0,0|2,0,0]=4 39 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 CS12331 [2,0,0,0,0,0|2,0,0]=4 40 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 CS20887 [2,0,0,0,0,0|2,0,0]=4 41 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 CS10846 [2,0,0,0,0,0|2,0,0]=4 42 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 CS15576 [2,0,0,0,0,0|2,0,0]=4 43 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 CS19207 [2,0,0,0,0,0|2,0,0]=4 44 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 MC20331 [2,0,0,0,0,0|2,0,0]=4 45 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 MC429561 [2,0,0,0,0,0|2,0,0]=4 46 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 MC429563 [2,0,0,0,0,0|2,0,0]=4 47 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 CS21023 [2,0,0,0,0,0|1,0,0]=3 48 B12R1.20 O=C(O)C(Br)C1=CC=C(Cl)C=C1 MC40142 [2,0,0,0,0,0|2,0,0]=4 49 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 MC115598 [2,0,0,0,0,0|1,0,0]=3 50 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 CS20354 [2,0,0,0,0,0|1,0,0]=3 51 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 MC40159 [2,0,0,0,0,0|1,0,0]=3 52 B12R1.20 O=C(O)C(O)c1ccc(Br)cc1 MC115599 [2,0,0,0,0,0|1,0,0]=3 53 B12R1.225 CC(C(=O)O)C1=CC(Br)=CC=C1 CS14817 [2,0,0,0,0,0|2,0,0]=4 54 B12R1.225 CC(C(=O)O)C1=CC(N)=CC=C1 MC102234 [2,0,0,0,0,0|2,0,0]=4 55 B12R1.225 CC1=CC(C(C)C(=O)O)=CC=C1 MC442791 [2,0,0,0,0,0|1,0,0]=3 56 B12R1.225 NC(C(=O)O)C1=CC(Cl)=CC=C1 MC40137 [2,0,0,0,0,0|2,0,0]=4 57 B12R1.225 O=C(O)C(O)C1=CC(F)=CC=C1 CS13705 [2,0,0,0,0,0|1,0,0]=3 58 B14R1.1864 COC1=C(OC)C=C(C(=O)C=O)C=C1 CS21946 [1,1,0,0,0,0|0,0,2]=4 59 B14R1.1864 COC1=C(OC)C=C(C(C)NO)C=C1 MC107665 [1,1,0,0,0,0|2,0,0]=4 60 B14R1.705 O=C(O)CC1=CC([N+](=O)[O-])=C(O)C=C1 MC40179 [1,1,0,0,0,0|2,0,0]=4 61 B14R1.3405 COC(=O)CC1=CC(C=O)=C(O)C=C1 CS22871 [1,1,0,0,0,0|2,0,0]=4 62 B14R1.3405 COC(=O)CC1=CC(OC)=C(Br)C=C1 MC430369 [1,1,0,0,0,0|1,0,0]=3 63 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 CS16307 [1,1,0,0,0,0|0,0,0]=2 64 B14R1.6038 CC1=C(C(O)C(=O)O)C=C(Cl)C(Cl)=C1 MC109927 [1,1,0,0,0,0|2,0,0]=4 65 B14R1.6038 CC1=CC(C(O)C(=O)O)=C(Cl)C=C1Cl MC109916 [1,1,0,0,0,0|1,0,0]=3 66 B14R1.6038 CC1=CC(Cl)=C(C(O)C(=O)O)C=C1Cl MC109919 [1,1,0,0,0,0|2,0,0]=4 67 B14R1.6038 O=C(O)C(O)C1=C(Cl)C=C(Cl)C(F)=C1 MC109716 [1,1,0,0,0,0|2,0,0]=4 68 B14R1.6038 O=C(O)C(O)C1=C(Cl)C=C(F)C(Cl)=C1 MC109719 [1,1,0,0,0,0|2,0,0]=4 69 B14R1.6038 O=C(O)C(O)C1=C(F)C=C(Cl)C(Cl)=C1 MC109727 [1,1,0,0,0,0|2,0,0]=4 70 B14R1.6058 CC1=C(C(O)C(=O)O)C=CC(Cl)=C1Cl MC109922 [1,1,0,0,0,0|2,0,0]=4 71 B14R1.6058 CC1=C(Cl)C(Cl)=C(C(O)C(=O)O)C=C1 MC109912 [1,1,0,0,0,0|2,0,0]=4 72 B14R1.6058 CC1=C(Cl)C=CC(C(O)C(=O)O)=C1Cl MC109915 [1,1,0,0,0,0|1,0,0]=3 73 B14R1.6058 O=C(O)C(O)C1=C(Cl)C(Cl)=C(F)C=C1 MC109712 [1,1,0,0,0,0|2,0,0]=4 74 B14R1.6058 O=C(O)C(O)C1=C(Cl)C(F)=C(Cl)C=C1 MC109715 [1,1,0,0,0,0|2,0,0]=4 75 B14R1.6058 O=C(O)C(O)C1=C(F)C(Cl)=C(Cl)C=C1 MC109722 [1,1,0,0,0,0|2,0,0]=4 76 B14R1.15551 CC1=C(Cl)C=C(C(O)C(=O)O)C=C1Cl MC109925 [1,1,0,0,0,0|2,0,0]=4 77 B14R1.15551 CC1=CC(C(O)C(=O)O)=CC(Cl)=C1Cl MC109923 [1,1,0,0,0,0|1,0,0]=3 78 B14R1.15551 O=C(O)C(O)C1=CC(Cl)=C(Cl)C(F)=C1 MC109723 [1,1,0,0,0,0|2,0,0]=4 79 B14R1.15551 O=C(O)C(O)C1=CC(Cl)=C(F)C(Cl)=C1 MC109725 [1,1,0,0,0,0|2,0,0]=4 80 B16R1.4274 COC1=C(OC)C=C(CC(N)C(=O)O)C=C1 CS10080 [0,1,0,0,0,1|1,0,0]=3 81 B16R1.4274 COC1=C(OC)C=C(CC(N)C(=O)O)C=C1 MC21035 [0,1,0,0,0,1|1,0,0]=3 82 B14R2.1008 O=C(O)Cc1ccc2c(c1)OCO2 MC40183 [1,0,0,1,0,0|0,0,0]=2 83 B16R2.6284 NC(C(=O)O)C1=CC2=C(C=C1)OCCO2 CS10918 [0,1,0,1,0,0|1,0,0]=3 84 B14R1.42 COC1=C(O)C=CC(CC[N+](=O)[O-])=C1 MC106644 [1,0,0,0,0,1|1,0,1]=4 85 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 CS11068 [1,0,0,0,0,1|0,0,1]=3 86 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 CS14897 [1,0,0,0,0,1|0,0,1]=3 87 B14R1.42 COC1=C(O)C=CC(\C=C\C(C)=O)=C1 MC41849 [1,0,0,0,0,1|1,0,1]=4 88 B14R1.75 COC1=CC=CC(CC(N)C(=O)O)=C1 CS13718 [1,0,0,0,0,1|1,0,0]=3 89 B14R1.75 COC1=CC=CC(CC(N)C(=O)O)=C1 CS14166 [1,0,0,0,0,1|1,0,0]=3