0 B11R1.279 COc1ccc(c(c1)O)C=O ACT00666 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.3 CCc1ccc(cc1)NN ACT08278 [1,0,0,0,0,0|3,0,0]=4 2 B10R1.3 COc1ccc(cn1)C=O ACT05370 [1,0,0,0,0,0|1,0,0]=2 3 B10R1.3 COc1ccc(nc1)C=O ACT09131 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.25 Cc1cc(ccc1C=O)Cl ACT09676 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.25 Cc1cc(ccc1C=O)F ACT11866 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.25 Cc1ccc(c(c1)C)NN ACT08448 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.25 Cc1ccc(c(c1)Cl)NN ACT08995 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.25 c1cc(c(cc1Br)O)C=O ACT00222 [1,0,0,0,0,0|1,0,0]=2 9 B10R1.25 c1cc(c(cc1Cl)F)C=O ACT00558 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.25 c1cc(c(cc1Cl)O)C=O ACT03495 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.25 c1cc(c(cc1F)O)C=O ACT03507 [1,0,0,0,0,0|1,0,0]=2 12 B10R1.25 c1cc(c(cc1O)Cl)C=O ACT03441 [1,0,0,0,0,0|1,0,0]=2 13 B10R1.176 COc1ccc(c(c1)N)Cl ACT00073 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.176 COc1ccc(c(c1)N)Cl ACT07778 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.176 Cc1cc(ccc1Br)OC ACT08088 [1,0,0,0,0,0|2,0,0]=3 16 B12R1.48 c1cc(c(cc1[N+](=O)[O-])O)C=O ACT09079 [0,1,0,0,0,0|2,0,0]=3 17 B12R1.288 CCOc1ccc(c(c1)O)C=O ACT09727 [0,1,0,0,0,0|0,0,0]=1 18 B12R1.452 B(c1ccc(cc1Cl)OC)(O)O ACT02199 [0,1,0,0,0,0|2,0,1]=4 19 B12R1.452 CC(=O)c1ccc(cc1F)OC ACT12896 [0,1,0,0,0,0|1,0,0]=2 20 B12R1.452 COc1ccc(c(c1)N)C(=O)O ACT00513 [0,1,0,0,0,0|1,0,0]=2 21 B12R1.452 COc1ccc(c(n1)N)[N+](=O)[O-] ACT10161 [0,1,0,0,0,0|3,0,0]=4 22 B12R2.44 COc1ccc2c(c1)CCN2 ACT02538 [0,0,0,1,0,0|3,0,0]=4 23 B12R2.44 COc1ccc2cc[nH]c2c1 ACT02555 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.1 C1=CC(=O)C=CC1=NO ACT05401 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.1 C=Cc1ccc(cc1)Cl ACT07088 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.1 COc1ccc(cc1)Br ACT04984 [2,0,0,0,0,0|1,0,0]=3 27 B9R1.1 COc1ccc(cn1)Br ACT01474 [2,0,0,0,0,0|2,0,0]=4 28 B9R1.1 COc1ccc(cn1)O ACT11358 [2,0,0,0,0,0|1,0,1]=4 29 B9R1.1 Cc1ccc(cc1)C#C ACT10257 [2,0,0,0,0,0|1,0,1]=4 30 B9R1.1 Cc1ccc(cc1)NN ACT01152 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.1 Cc1ccc(cn1)C=O ACT01664 [2,0,0,0,0,0|1,0,0]=3 32 B9R1.1 c1cc(ccc1C=O)O ACT01156 [2,0,0,0,0,0|0,0,0]=2 33 B9R1.1 c1cc(ncc1Br)C=O ACT11369 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.1 c1cc(ncc1C=O)Br ACT01267 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.1 c1cc(ncc1C=O)Cl ACT06906 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.15 c1cc(c(nc1)Cl)C=O ACT01478 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.15 c1cc(c(nc1)N)C=O ACT01307 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.15 c1cncc(c1C=O)Cl ACT11394 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.69 Cc1ccc(cc1O)Br ACT00380 [2,0,0,0,0,0|1,0,1]=4 40 B9R1.69 c1cc(c(cc1Br)O)Cl ACT11823 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.69 c1cc(c(cc1Cl)O)Br ACT11828 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.69 c1cc(c(cc1F)O)Cl ACT00392 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.69 c1cc(c(cc1O)Br)F ACT00228 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.69 c1cc(c(cc1O)Br)O ACT09875 [2,0,0,0,0,0|1,0,1]=4 45 B9R1.69 c1cc(c(cc1O)Cl)N ACT06778 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.69 c1cc(c(cc1O)O)Br ACT00321 [2,0,0,0,0,0|1,0,0]=3 47 B9R1.69 c1cc(c(cc1O)O)F ACT03042 [2,0,0,0,0,0|1,0,0]=3 48 B9R1.2 COc1cc(ccn1)Br ACT01471 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.2 COc1cc(cnc1)Br ACT10406 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.2 COc1cccc(c1)Br ACT04958 [2,0,0,0,0,0|1,0,0]=3 51 B9R1.2 COc1cccc(c1)S ACT04985 [2,0,0,0,0,0|0,1,0]=3 52 B9R1.2 COc1cccc(n1)Br ACT05651 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.2 COc1cccc(n1)Cl ACT10158 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.2 COc1cccc(n1)N ACT01441 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.2 COc1ccnc(c1)N ACT04461 [2,0,0,0,0,0|2,0,0]=4 56 B11R1.3 B(c1ccc(cc1)C=O)(O)O ACT02218 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.3 B(c1ccc(cc1)OC)(O)O ACT05293 [1,1,0,0,0,0|1,0,1]=4 58 B11R1.3 CC(=O)c1ccc(nc1)OC ACT09232 [1,1,0,0,0,0|1,0,0]=3 59 B11R1.3 C[C@H](c1ccc(cc1)OC)N ACT00382 [1,1,0,0,0,0|1,0,1]=4 60 B11R1.3 C[C@H](c1ccc(cc1)OC)N ACT02367 [1,1,0,0,0,0|1,0,1]=4 61 B11R1.3 c1cc(ccc1C(=O)N)NN ACT09689 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.3 c1cc(ccc1C(=O)O)NN ACT07676 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.3 c1cc(ccc1C=O)[N+](=O)[O-] ACT11889 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.83 COc1ccc(cc1)CC#N ACT07150 [1,1,0,0,0,0|1,0,1]=4 65 B11R1.37 COc1ccc(cc1OC)O ACT11670 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.166 CC(=O)c1ccc(cc1F)O ACT00564 [1,1,0,0,0,0|1,0,0]=3 67 B11R1.166 CC(C)c1ccc(cc1O)O ACT11045 [1,1,0,0,0,0|1,0,1]=4 68 B11R1.166 Cc1cc(c(cn1)C(=O)O)O ACT02411 [1,1,0,0,0,0|1,0,0]=3 69 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O ACT11812 [1,1,0,0,0,0|1,0,0]=3 70 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] ACT13391 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.166 c1cc(c(cc1Br)F)C(=O)O ACT11804 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O ACT12172 [1,1,0,0,0,0|1,0,0]=3 73 B11R1.166 c1cc(c(cc1F)N)C(=O)O ACT04887 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.166 c1cc(c(cc1I)F)C(=O)O ACT11822 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.277 Cc1cc(c(cc1Br)F)C=O ACT01053 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.277 Cc1cc(c(cc1Cl)C=O)O ACT09554 [1,1,0,0,0,0|0,0,0]=2 77 B11R1.277 c1c(c(cc(c1F)F)Cl)C=O ACT00628 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.277 c1c(c(cc(c1F)F)O)C=O ACT04636 [1,1,0,0,0,0|1,0,0]=3 79 B11R1.278 c1cc(c(c(c1C=O)O)F)F ACT04639 [1,1,0,0,0,0|1,0,0]=3 80 B11R1.464 Cc1cc(cc(c1C=O)C)O ACT01019 [1,1,0,0,0,0|1,0,0]=3 81 B11R1.464 c1c(cc(c(c1F)C=O)F)Br ACT02125 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.464 c1c(cc(c(c1O)C=O)Cl)Cl ACT04663 [1,1,0,0,0,0|1,0,0]=3 83 B11R1.464 c1c(cc(c(c1O)C=O)F)F ACT04642 [1,1,0,0,0,0|1,0,0]=3 84 B11R1.280 COc1ccc(c(c1)C=O)O ACT04672 [1,1,0,0,0,0|0,0,2]=4 85 B11R1.280 COc1ccc(c(c1)OC)N ACT00098 [1,1,0,0,0,0|1,0,0]=3 86 B13R1.38 CC(C)(C)c1ccc(c(c1)O)C=O ACT01036 [0,2,0,0,0,0|1,0,0]=3 87 B13R1.99 COc1ccc(c(c1)OC)C(=O)O ACT12224 [0,2,0,0,0,0|0,0,0]=2 88 B11R1.265 COc1cccc(c1C=O)O ACT04673 [0,0,1,1,0,0|0,0,2]=4 89 B13R2.57 COc1ccc2ccccc2c1 ACT12030 [0,1,0,1,0,0|2,0,0]=4 90 B13R2.2130 COc1ccc2c(c1)CCC2=O ACT02583 [0,1,0,1,0,0|1,0,0]=3 91 B13R2.2121 COc1ccc2c(c1)sc(n2)Br ACT09488 [0,1,0,1,0,0|1,1,0]=4 92 B13R2.2121 Cc1cc2ccc(cc2o1)OC ACT10776 [0,1,0,1,0,0|1,0,0]=3 93 B11R1.267 COc1cccc(c1O)C=O ACT04671 [0,0,0,0,1,1|0,0,0]=2