0 B14R1.42 COC1=C(O)C=CC(CC[N+](=O)[O-])=C1 MC106644 [0,0,0,0,0,0|2,0,2]=4 1 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 CS11068 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 CS14897 [0,0,0,0,0,0|1,0,0]=1 3 B14R1.42 COC1=C(O)C=CC(\C=C\C(C)=O)=C1 MC41849 [0,0,0,0,0,0|0,0,0]=0 4 B13R1.511 O=C(O)\C=C\C1=CC(Br)=C(F)C=C1 MC433907 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.511 O=C(O)\C=C\C1=CC(Cl)=C(F)C=C1 MC20199 [1,0,0,0,0,0|3,0,0]=4 6 B13R1.511 O=C(O)\C=C\C1=CC(F)=C(F)C=C1 CS21437 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.643 COC1=CC(COC(C)=O)=NC=C1 MC33432 [1,0,0,0,0,0|2,0,1]=4 8 B15R1.4039 COC(=O)\C=C\C1=CC(OC)=C(O)C=C1 CS10522 [0,1,0,0,0,0|0,0,0]=1 9 B15R1.12854 COC1=C(OC)C=C(CCC(=O)O)C=C1 CS10079 [0,1,0,0,0,0|1,0,2]=4 10 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 CS19593 [0,0,0,0,1,0|2,0,1]=4 11 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 MC433954 [0,0,0,0,1,0|1,0,1]=3 12 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 CS14964 [2,0,0,0,0,0|0,0,2]=4 13 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 MC431712 [2,0,0,0,0,0|1,0,0]=3 14 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 MC41308 [2,0,0,0,0,0|1,0,0]=3 15 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 MC40217 [2,0,0,0,0,0|2,0,0]=4 16 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 CS21504 [2,0,0,0,0,0|2,0,0]=4 17 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 MC429571 [2,0,0,0,0,0|2,0,0]=4 18 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 CS15820 [2,0,0,0,0,0|1,0,0]=3 19 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(O)C=C1 CS22887 [2,0,0,0,0,0|2,0,0]=4 20 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 CS21499 [2,0,0,0,0,0|2,0,0]=4 21 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 CS21503 [2,0,0,0,0,0|2,0,0]=4 22 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 MC40208 [2,0,0,0,0,0|2,0,0]=4 23 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 CS10976 [2,0,0,0,0,0|2,0,0]=4 24 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 MC40216 [2,0,0,0,0,0|2,0,0]=4 25 B14R1.6036 CC1=CC(\C=C\C(=O)O)=C(Cl)C=C1Cl MC109900 [1,1,0,0,0,0|2,0,0]=4 26 B14R1.6059 CC1=C(Cl)C=CC(\C=C\C(=O)O)=C1Cl MC109899 [1,1,0,0,0,0|2,0,0]=4 27 B14R1.15552 CC1=CC(\C=C\C(=O)O)=CC(Cl)=C1Cl MC109907 [1,1,0,0,0,0|2,0,0]=4 28 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 CS16307 [0,1,0,0,1,0|1,0,1]=4 29 B16R1.15083 CCOC(=O)\C=C\C1=CC(OC)=C(O)C=C1 CS11691 [0,2,0,0,0,0|0,0,0]=2 30 B14R2.8239 O=C1C=CC2=CC(O)=C(O)C=C2O1 CS14117 [1,0,0,1,0,0|1,0,0]=3 31 B14R2.2332 COC1=CC=C2C=C(Br)C=CC2=C1 CS11560 [1,0,0,1,0,0|1,0,1]=4 32 B14R2.11684 COC1=C2N=C(Br)C=CC2=CC=C1 MC443451 [1,0,0,1,0,0|2,0,0]=4 33 B14R2.1008 O=C(O)Cc1ccc2c(c1)OCO2 MC40183 [0,0,0,1,1,0|1,0,1]=4 34 B12R1.19 CC(=O)Nc1ccc(C)c(C)c1 MC40962 [1,0,0,0,1,0|2,0,0]=4 35 B12R1.19 CC(=O)OC1=CC(C)=C(Cl)C=C1 MC40003 [1,0,0,0,1,0|2,0,0]=4 36 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 CS20953 [1,0,0,0,1,0|1,0,1]=4 37 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 MC40182 [1,0,0,0,1,0|1,0,1]=4 38 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 CS22343 [1,0,0,0,1,0|0,0,1]=3 39 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=C1 CS22663 [0,0,0,0,2,0|2,0,0]=4 40 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 CS21939 [0,0,0,0,2,0|2,0,0]=4 41 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 CS20832 [0,0,0,0,2,0|2,0,0]=4 42 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 CS16067 [0,0,0,0,2,0|2,0,0]=4 43 B12R1.56 COC1=C(F)C=CC(C(C)=O)=C1 MC30272 [0,0,0,0,2,0|1,0,0]=3 44 B12R1.56 COC1=C(N)C=CC(C(=O)O)=C1 CS21016 [0,0,0,0,2,0|2,0,0]=4 45 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 CS20951 [0,0,0,0,2,0|1,0,0]=3 46 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 CS14549 [0,0,0,0,2,0|0,0,0]=2 47 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 CS20340 [0,0,0,0,2,0|2,0,0]=4