0 B14R1.42 COC1=C(O)C=CC(CC[N+](=O)[O-])=C1 MC106644 [0,0,0,0,0,0|1,0,3]=4 1 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 CS11068 [0,0,0,0,0,0|0,0,0]=0 2 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 CS14897 [0,0,0,0,0,0|0,0,0]=0 3 B14R1.42 COC1=C(O)C=CC(\C=C\C(C)=O)=C1 MC41849 [0,0,0,0,0,0|1,0,0]=1 4 B13R1.511 O=C(O)\C=C\C1=CC(Br)=C(F)C=C1 MC433907 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.511 O=C(O)\C=C\C1=CC(Cl)=C(F)C=C1 MC20199 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.511 O=C(O)\C=C\C1=CC(F)=C(F)C=C1 CS21437 [1,0,0,0,0,0|2,0,0]=3 7 B15R1.4039 COC(=O)\C=C\C1=CC(OC)=C(O)C=C1 CS10522 [0,1,0,0,0,0|0,0,0]=1 8 B15R1.12854 COC1=C(C=O)C=CC(OCC(=O)O)=C1 MC437641 [0,1,0,0,0,0|1,0,2]=4 9 B15R1.12854 COC1=C(OC)C=C(CCC(=O)O)C=C1 CS10079 [0,1,0,0,0,0|0,0,2]=3 10 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 CS19593 [0,0,0,0,1,0|1,0,1]=3 11 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 MC433954 [0,0,0,0,1,0|0,0,1]=2 12 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 MC431712 [2,0,0,0,0,0|2,0,0]=4 13 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 MC41308 [2,0,0,0,0,0|2,0,0]=4 14 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 MC40217 [2,0,0,0,0,0|1,0,0]=3 15 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 CS21107 [2,0,0,0,0,0|0,0,2]=4 16 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 CS21504 [2,0,0,0,0,0|1,0,0]=3 17 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 MC429571 [2,0,0,0,0,0|1,0,0]=3 18 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 CS15820 [2,0,0,0,0,0|0,0,0]=2 19 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(O)C=C1 CS22887 [2,0,0,0,0,0|1,0,1]=4 20 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 CS21499 [2,0,0,0,0,0|1,0,0]=3 21 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 CS21503 [2,0,0,0,0,0|1,0,0]=3 22 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 MC40208 [2,0,0,0,0,0|1,0,0]=3 23 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 CS10976 [2,0,0,0,0,0|1,0,0]=3 24 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 MC40216 [2,0,0,0,0,0|1,0,0]=3 25 B14R1.6036 CC1=C(\C=C\C(=O)O)C=C(Cl)C(Cl)=C1 MC109911 [1,1,0,0,0,0|2,0,0]=4 26 B14R1.6036 CC1=CC(Cl)=C(\C=C\C(=O)O)C=C1Cl MC109903 [1,1,0,0,0,0|2,0,0]=4 27 B14R1.6036 CC1=CC(\C=C\C(=O)O)=C(Cl)C=C1Cl MC109900 [1,1,0,0,0,0|1,0,0]=3 28 B14R1.6036 O=C(O)\C=C\C1=C(Br)C=C(Br)C(F)=C1 MC108967 [1,1,0,0,0,0|2,0,0]=4 29 B14R1.6036 O=C(O)\C=C\C1=C(Br)C=C(F)C(Br)=C1 MC108969 [1,1,0,0,0,0|2,0,0]=4 30 B14R1.6036 O=C(O)\C=C\C1=C(Cl)C=C(F)C(Cl)=C1 MC109695 [1,1,0,0,0,0|2,0,0]=4 31 B14R1.6036 O=C(O)\C=C\C1=C(F)C=C(Br)C(Br)=C1 MC108976 [1,1,0,0,0,0|2,0,0]=4 32 B14R1.6036 O=C(O)\C=C\C1=C(F)C=C(Cl)C(Cl)=C1 MC109703 [1,1,0,0,0,0|2,0,0]=4 33 B14R1.6036 O=C(O)\C=C\C1=C(F)C=C(F)C(F)=C1 MC429492 [1,1,0,0,0,0|2,0,0]=4 34 B14R1.6059 CC1=C(Cl)C(Cl)=C(\C=C\C(=O)O)C=C1 MC109896 [1,1,0,0,0,0|2,0,0]=4 35 B14R1.6059 CC1=C(Cl)C=CC(\C=C\C(=O)O)=C1Cl MC109899 [1,1,0,0,0,0|1,0,0]=3 36 B14R1.6059 CC1=C(\C=C\C(=O)O)C=CC(Cl)=C1Cl MC109906 [1,1,0,0,0,0|2,0,0]=4 37 B14R1.6059 O=C(O)\C=C\C1=C(Br)C(Br)=C(F)C=C1 MC108963 [1,1,0,0,0,0|2,0,0]=4 38 B14R1.6059 O=C(O)\C=C\C1=C(Br)C(F)=C(Br)C=C1 MC108966 [1,1,0,0,0,0|2,0,0]=4 39 B14R1.6059 O=C(O)\C=C\C1=C(Cl)C(F)=C(Cl)C=C1 MC109692 [1,1,0,0,0,0|2,0,0]=4 40 B14R1.6059 O=C(O)\C=C\C1=C(F)C(Br)=C(Br)C=C1 MC108972 [1,1,0,0,0,0|2,0,0]=4 41 B14R1.6059 O=C(O)\C=C\C1=C(F)C(Cl)=C(Cl)C=C1 MC109698 [1,1,0,0,0,0|2,0,0]=4 42 B14R1.15552 CC1=C(Cl)C=C(\C=C\C(=O)O)C=C1Cl MC109909 [1,1,0,0,0,0|2,0,0]=4 43 B14R1.15552 CC1=CC(\C=C\C(=O)O)=CC(Cl)=C1Cl MC109907 [1,1,0,0,0,0|1,0,0]=3 44 B14R1.15552 O=C(O)\C=C\C1=CC(Br)=C(Br)C(F)=C1 MC108973 [1,1,0,0,0,0|2,0,0]=4 45 B14R1.15552 O=C(O)\C=C\C1=CC(Br)=C(F)C(Br)=C1 MC108974 [1,1,0,0,0,0|2,0,0]=4 46 B14R1.15552 O=C(O)\C=C\C1=CC(Cl)=C(Cl)C(F)=C1 MC109699 [1,1,0,0,0,0|2,0,0]=4 47 B14R1.15552 O=C(O)\C=C\C1=CC(Cl)=C(F)C(Cl)=C1 MC109701 [1,1,0,0,0,0|2,0,0]=4 48 B14R1.15552 O=C(O)\C=C\C1=CC(F)=C(F)C(F)=C1 MC40218 [1,1,0,0,0,0|2,0,0]=4 49 B14R1.75 COC1=CC=CC(CC(N)C(=O)O)=C1 CS13718 [1,1,0,0,0,0|0,0,2]=4 50 B14R1.75 COC1=CC=CC(CC(N)C(=O)O)=C1 CS14166 [1,1,0,0,0,0|0,0,2]=4 51 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 CS16307 [0,1,0,0,1,0|0,0,1]=3 52 B16R1.4274 COC1=C(OC)C=C(CC(N)C(=O)O)C=C1 CS10080 [0,2,0,0,0,0|0,0,2]=4 53 B16R1.4274 COC1=C(OC)C=C(CC(N)C(=O)O)C=C1 MC21035 [0,2,0,0,0,0|0,0,2]=4 54 B16R1.15083 CCOC(=O)\C=C\C1=CC(OC)=C(O)C=C1 CS11691 [0,2,0,0,0,0|0,0,0]=2 55 B14R2.8239 O=C1C=CC2=CC(O)=C(O)C=C2O1 CS14117 [1,0,0,1,0,0|0,0,0]=2 56 B14R2.8239 OC1=CC=C2C=C(Br)C(O)=CC2=C1 MC103324 [1,0,0,1,0,0|2,0,0]=4 57 B14R2.2332 COC1=CC=C2C=C(Br)C=CC2=C1 CS11560 [1,0,0,1,0,0|2,0,0]=4 58 B14R2.11684 COC1=C2N=C(Br)C=CC2=CC=C1 MC443451 [1,0,0,1,0,0|2,0,0]=4 59 B14R2.1008 O=C(O)Cc1ccc2c(c1)OCO2 MC40183 [0,0,0,1,1,0|0,0,1]=3 60 B16R2.1933 COC1=C(F)C=C2C=C(C(=O)O)NC2=C1 MC116173 [0,1,0,1,0,0|2,0,0]=4 61 B16R3.10840 O=C1C=CC2=CC3=C(C=C2O1)OC=C3 MC100704 [0,0,0,2,0,0|1,0,1]=4 62 B16R3.11020 O=C1C=CC2=CC=C3OC=CC3=C2O1 MC115054 [0,0,0,2,0,0|1,0,1]=4 63 B12R1.19 CC1=C(Br)C=CC(CC(=O)O)=C1 MC40151 [1,0,0,0,1,0|1,0,1]=4 64 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 MC21107 [1,0,0,0,1,0|1,0,1]=4 65 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 MC433950 [1,0,0,0,1,0|1,0,1]=4 66 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 MC40146 [1,0,0,0,1,0|1,0,1]=4 67 B12R1.19 O=C(O)CC1=CC(F)=C(O)C=C1 MC40167 [1,0,0,0,1,0|1,0,1]=4 68 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 CS20953 [1,0,0,0,1,0|0,0,1]=3 69 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 MC40182 [1,0,0,0,1,0|0,0,1]=3 70 B12R1.438 COC1=CC=CC(CC(=O)O)=N1 MC432368 [1,0,0,0,1,0|1,0,1]=4 71 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 CS22343 [1,0,0,0,1,0|1,0,1]=4 72 B12R1.56 CCC1=C(Br)C=CC(C(=O)O)=C1 MC428381 [0,0,0,0,2,0|2,0,0]=4 73 B12R1.56 CCC1=C(N)C=CC(C(=O)O)=C1 MC30294 [0,0,0,0,2,0|2,0,0]=4 74 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=C1 CS22663 [0,0,0,0,2,0|1,0,0]=3 75 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=N1 CS16863 [0,0,0,0,2,0|2,0,0]=4 76 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 CS21939 [0,0,0,0,2,0|1,0,0]=3 77 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 CS20832 [0,0,0,0,2,0|1,0,0]=3 78 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=N1 CS13301 [0,0,0,0,2,0|2,0,0]=4 79 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 CS16067 [0,0,0,0,2,0|1,0,0]=3 80 B12R1.56 COC1=C(F)C=CC(C(C)=O)=C1 MC30272 [0,0,0,0,2,0|2,0,0]=4 81 B12R1.56 COC1=C(N)C=CC(C(=O)O)=C1 CS21016 [0,0,0,0,2,0|1,0,0]=3 82 B12R1.56 COC1=C(N)C=CC(C(=O)O)=N1 MC432347 [0,0,0,0,2,0|2,0,0]=4 83 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 MC442694 [0,0,0,0,2,0|1,0,1]=4 84 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 CS20951 [0,0,0,0,2,0|0,0,0]=2 85 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 CS14549 [0,0,0,0,2,0|1,0,0]=3 86 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 CS20340 [0,0,0,0,2,0|1,0,1]=4 87 B12R1.56 N#CC1=C(O)C=CC(C(=O)O)=C1 MC441018 [0,0,0,0,2,0|2,0,0]=4