0 B13R1.386 COCc1ccc(c(c1)OC)OC CHEBI:86961 [0,0,0,0,0,0|1,0,1]=2 1 B13R1.386 COc1ccc(cc1OC)CC=C CHEBI:4918 [0,0,0,0,0,0|0,0,0]=0 2 B13R1.386 COc1ccc(cc1OC)CCN CHEBI:136995 [0,0,0,0,0,0|1,0,1]=2 3 B13R1.386 C\C=C/c1ccc(c(c1)OC)OC CHEBI:50550 [0,0,0,0,0,0|0,0,2]=2 4 B13R1.386 C\C=C\c1ccc(c(c1)OC)OC CHEBI:14469 [0,0,0,0,0,0|0,0,2]=2 5 B13R1.386 C\C=C\c1ccc(c(c1)OC)OC CHEBI:6877 [0,0,0,0,0,0|0,0,2]=2 6 B12R1.78 COc1ccc(cc1OC)C=O CHEBI:17098 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.78 COc1ccc(cc1OC)CO CHEBI:62150 [1,0,0,0,0,0|1,0,0]=2 8 B12R1.78 COc1ccc(cc1OC)C[O] CHEBI:88143 [1,0,0,0,0,0|1,0,0]=2 9 B12R1.286 COc1cc(ccc1O)CC=C CHEBI:4917 [1,0,0,0,0,0|0,0,0]=1 10 B12R1.286 COc1cc(ccc1O)CC=O CHEBI:28111 [1,0,0,0,0,0|1,0,0]=2 11 B12R1.286 C\C=C/c1ccc(c(c1)OC)O CHEBI:50543 [1,0,0,0,0,0|0,0,2]=3 12 B12R1.286 C\C=C\c1ccc(c(c1)OC)O CHEBI:18224 [1,0,0,0,0,0|0,0,2]=3 13 B12R1.286 C\C=C\c1ccc(c(c1)OC)O CHEBI:50545 [1,0,0,0,0,0|0,0,2]=3 14 B14R1.793 COc1ccc(cc1OC)\C=C\C=O CHEBI:86548 [0,1,0,0,0,0|0,0,1]=2 15 B14R1.793 COc1ccc(cc1OC)\C=C\CO CHEBI:86551 [0,1,0,0,0,0|0,0,2]=3 16 B14R1.1864 COc1ccc(cc1OC)C(CO)O CHEBI:17007 [0,1,0,0,0,0|1,0,1]=3 17 B11R1.280 COc1cc(ccc1O)C=C CHEBI:42438 [2,0,0,0,0,0|0,0,0]=2 18 B11R1.280 COc1cc(ccc1O)C=O CHEBI:18346 [2,0,0,0,0,0|1,0,0]=3 19 B11R1.280 COc1cc(ccc1O)CN CHEBI:46958 [2,0,0,0,0,0|1,0,0]=3 20 B11R1.280 COc1cc(ccc1O)CO CHEBI:18353 [2,0,0,0,0,0|1,0,0]=3 21 B11R1.192 c1cc(c(cc1CC=O)O)O CHEBI:27978 [2,0,0,0,0,0|1,0,0]=3 22 B11R1.192 c1cc(c(cc1CCN)O)O CHEBI:18243 [2,0,0,0,0,0|1,0,1]=4 23 B11R1.192 c1cc(c(cc1CCO)O)O CHEBI:68889 [2,0,0,0,0,0|1,0,1]=4 24 B11R1.192 c1cc(c(cc1CC[NH3+])O)O CHEBI:59905 [2,0,0,0,0,0|1,0,1]=4 25 B11R1.83 COc1ccc(cc1)CCN CHEBI:266039 [2,0,0,0,0,0|1,0,1]=4 26 B11R1.83 C\C=C/c1ccc(cc1)OC CHEBI:78412 [2,0,0,0,0,0|0,0,2]=4 27 B11R1.83 C\C=C\c1ccc(cc1)OC CHEBI:2716 [2,0,0,0,0,0|0,0,2]=4 28 B11R1.83 C\C=C\c1ccc(cc1)OC CHEBI:35616 [2,0,0,0,0,0|0,0,2]=4 29 B13R1.3091 CC(=O)c1ccc(c(c1)OC)OC CHEBI:86576 [1,1,0,0,0,0|0,0,1]=3 30 B13R1.3091 CC(c1ccc(c(c1)OC)OC)O CHEBI:86531 [1,1,0,0,0,0|0,0,1]=3 31 B13R1.3091 COc1ccc(cc1OC)C(=O)O CHEBI:296881 [1,1,0,0,0,0|1,0,0]=3 32 B13R1.52 COc1cc(ccc1O)CC(=O)O CHEBI:545959 [1,1,0,0,0,0|1,0,0]=3 33 B13R1.52 COc1cc(ccc1O)CC(=O)[O-] CHEBI:133744 [1,1,0,0,0,0|1,0,0]=3 34 B13R1.575 COc1cc(ccc1O)CCCO CHEBI:4559 [1,1,0,0,0,0|0,0,2]=4 35 B13R1.575 COc1cc(ccc1O)\C=C\C=O CHEBI:16547 [1,1,0,0,0,0|0,0,1]=3 36 B13R1.575 COc1cc(ccc1O)\C=C\CO CHEBI:17745 [1,1,0,0,0,0|0,0,2]=4 37 B13R1.1255 C\C=C\c1ccc(c(c1C)OC)O CHEBI:59083 [1,1,0,0,0,0|0,0,2]=4 38 B13R1.1255 Cc1c(ccc(c1OC)O)CC=C CHEBI:59074 [1,1,0,0,0,0|0,0,0]=2 39 B13R1.2900 C\C=C\c1cc(c(cc1C)O)OC CHEBI:59078 [1,1,0,0,0,0|0,0,2]=4 40 B13R1.2900 Cc1cc(c(cc1CC=C)OC)O CHEBI:59072 [1,1,0,0,0,0|0,0,0]=2 41 B13R1.4030 C\C=C\c1cc(c(c(c1)OC)O)C CHEBI:59077 [1,1,0,0,0,0|0,0,2]=4 42 B13R1.4030 Cc1cc(cc(c1O)OC)CC=C CHEBI:59060 [1,1,0,0,0,0|0,0,0]=2 43 B13R1.35 COc1ccc(cc1O)CC(=O)O CHEBI:70818 [1,1,0,0,0,0|1,0,0]=3 44 B15R1.12854 CC(=O)OCc1ccc(c(c1)OC)OC CHEBI:86588 [0,2,0,0,0,0|0,0,1]=3 45 B15R1.12854 COc1ccc(cc1OC)CCC(=O)O CHEBI:44235 [0,2,0,0,0,0|0,0,1]=3 46 B15R1.12854 COc1ccc(cc1OC)\C=C\C(=O)O CHEBI:86549 [0,2,0,0,0,0|0,0,1]=3 47 B15R1.3705 COc1cc(cc(c1OC)OC)CCN CHEBI:28346 [0,2,0,0,0,0|1,0,1]=4 48 B15R1.594 C\C=C\c1ccc(c(c1)OC)OC(=O)C CHEBI:86583 [0,2,0,0,0,0|0,0,2]=4 49 B15R1.27356 C\C=C/c1cc(c(cc1OC)OC)OC CHEBI:10353 [0,2,0,0,0,0|0,0,2]=4 50 B15R1.27356 C\C=C/c1cc(c(cc1OC)OC)OC CHEBI:78308 [0,2,0,0,0,0|0,0,2]=4 51 B15R1.27356 C\C=C\c1cc(c(cc1OC)OC)OC CHEBI:78309 [0,2,0,0,0,0|0,0,2]=4 52 B13R2.449 C=CCc1ccc2c(c1)OCO2 CHEBI:8994 [1,0,0,1,0,0|0,0,0]=2 53 B13R2.599 COc1cc2c(cc1O)CCC2 CHEBI:86574 [1,0,0,1,0,0|0,0,2]=4 54 B15R2.117 COc1cc2ccncc2cc1OC CHEBI:2971 [0,1,0,1,0,0|0,0,1]=3