0 B11R1.83 CCOc1ccc(cc1)CO CM13402 [0,0,0,0,0,0|0,0,2]=2 1 B10R1.1 c1cc(ccc1CCBr)Cl CM13503 [1,0,0,0,0,0|3,0,0]=4 2 B10R1.1 c1cc(ccc1CCBr)F CM13509 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.1 c1cc(ccc1CCCl)Cl CM13502 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.1 c1cc(ccc1CCO)Cl CM13495 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.1 c1cc(ccc1CCO)F CM13508 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.1 c1cc(ccc1CCO)O CM10966 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.3 CSc1ccc(cc1)CN CM13545 [1,0,0,0,0,0|1,1,1]=4 8 B10R1.3 c1cc(ccc1CN)C#N CM12929 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.3 c1cc(ccc1CO)CBr CM13301 [1,0,0,0,0,0|1,0,2]=4 10 B12R1.5 CCc1ccc(cc1)C(=O)CC CM11251 [0,1,0,0,0,0|2,0,1]=4 11 B12R1.113 CCOc1ccc(cc1)C(=O)O CM12707 [0,1,0,0,0,0|0,0,0]=1 12 B12R1.116 CCOc1ccc(cc1)CC#N CM13699 [0,1,0,0,0,0|1,0,1]=3 13 B12R2.44 c1cc(cc2c1cco2)C=O CM10731 [0,0,0,1,0,0|2,0,1]=4 14 B12R2.44 c1cc2c(cco2)cc1C=O CM10754 [0,0,0,1,0,0|0,0,2]=3 15 B9R1.1 CCc1ccc(cc1)F CM10050 [2,0,0,0,0,0|1,0,0]=3 16 B9R1.1 CCc1ccc(cn1)Br CM10444 [2,0,0,0,0,0|2,0,0]=4 17 B9R1.1 CNc1ccc(cc1)I CM11495 [2,0,0,0,0,0|2,0,0]=4 18 B9R1.1 COc1ccc(cc1)F CM11749 [2,0,0,0,0,0|1,0,0]=3 19 B9R1.1 COc1ccc(nc1)Br CM10454 [2,0,0,0,0,0|2,0,0]=4 20 B9R1.1 c1cc(ccc1C=O)F CM11946 [2,0,0,0,0,0|1,0,0]=3 21 B9R1.1 c1cc(ccc1C=O)I CM11996 [2,0,0,0,0,0|1,0,0]=3 22 B9R1.1 c1cc(ccc1CCl)F CM13407 [2,0,0,0,0,0|2,0,0]=4 23 B9R1.1 c1cc(ccc1CO)F CM13405 [2,0,0,0,0,0|2,0,0]=4 24 B9R1.1 c1cc(ccc1CO)N CM13264 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.1 c1cc(ncc1C=O)Br CM13843 [2,0,0,0,0,0|2,0,0]=4 26 B11R1.1 c1cc(ccc1OCCBr)Cl CM12086 [1,1,0,0,0,0|1,0,0]=3 27 B11R1.20 CC(=O)Oc1ccc(cc1)F CM12027 [1,1,0,0,0,0|1,0,1]=4 28 B11R1.20 CC(C)Cc1ccc(cc1)Br CM12109 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.20 CC(C)Oc1ccc(cc1)N CM11503 [1,1,0,0,0,0|1,0,0]=3 30 B11R1.192 CCOc1ccc(c(c1)N)N CM11707 [1,1,0,0,0,0|1,0,0]=3 31 B11R1.3 CCc1ccc(nc1)C(=O)O CM10503 [1,1,0,0,0,0|1,0,0]=3 32 B11R1.3 CN(C)c1ccc(cc1)OC CM11444 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.3 c1cc(ccc1CBr)C(=O)O CM10952 [1,1,0,0,0,0|1,0,0]=3 34 B11R1.279 COc1ccc(c(c1)Br)C=O CM11856 [1,1,0,0,0,0|0,0,0]=2 35 B11R1.279 COc1ccc(c(c1)Cl)C=O CM10194 [1,1,0,0,0,0|0,0,0]=2 36 B11R1.279 COc1ccc(c(c1)F)C#N CM13080 [1,1,0,0,0,0|1,0,1]=4 37 B11R1.279 COc1ccc(c(c1)F)C=O CM11960 [1,1,0,0,0,0|0,0,0]=2 38 B11R1.279 COc1ccc(c(c1)F)CCl CM13409 [1,1,0,0,0,0|1,0,1]=4 39 B11R1.279 COc1ccc(c(c1)F)NN CM13800 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.279 COc1ccc(c(c1)F)OC CM12240 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.279 COc1ccc(c(c1)I)C#N CM10164 [1,1,0,0,0,0|1,0,1]=4 42 B11R1.279 COc1ccc(c(c1)O)OC CM10473 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.279 COc1ccc(c(n1)F)C=O CM10676 [1,1,0,0,0,0|1,0,0]=3 44 B11R1.279 COc1ccc(cc1Br)C#N CM12980 [1,1,0,0,0,0|1,0,1]=4 45 B11R1.279 COc1ccc(cc1Cl)C#N CM13017 [1,1,0,0,0,0|1,0,1]=4 46 B11R1.279 COc1ccc(cc1Cl)C=O CM10157 [1,1,0,0,0,0|0,0,0]=2 47 B11R1.279 COc1ccc(cc1F)C#N CM13083 [1,1,0,0,0,0|1,0,1]=4 48 B11R1.279 COc1ccc(cc1F)C=O CM11964 [1,1,0,0,0,0|0,0,0]=2 49 B11R1.279 COc1ccc(cc1O)C=O CM13992 [1,1,0,0,0,0|0,0,0]=2 50 B11R1.279 Cc1cc(ccc1OC)C=O CM11999 [1,1,0,0,0,0|0,0,0]=2 51 B11R1.279 c1cc(c(cc1C#N)Br)C=O CM10650 [1,1,0,0,0,0|1,0,1]=4 52 B13R1.4 c1cc(ccc1C=O)OC(F)(F)F CM12018 [0,2,0,0,0,0|1,0,0]=3 53 B13R1.4 c1cc(ccc1C=O)SC(F)(F)F CM12021 [0,2,0,0,0,0|1,1,0]=4 54 B13R1.585 CC(C)Cc1ccc(cc1)C(=O)C CM11221 [0,2,0,0,0,0|1,0,0]=3 55 B13R1.537 CCC(C)c1ccc(cc1)[N+](=O)[O-] CM12121 [0,2,0,0,0,0|2,0,0]=4 56 B13R1.537 c1cc(ccc1C(=O)CBr)C(=O)O CM12452 [0,2,0,0,0,0|2,0,0]=4 57 B13R1.3 c1cc(ccc1CCC(=O)O)C=O CM10124 [0,2,0,0,0,0|1,0,1]=4 58 B13R1.140 CCOc1ccc(cc1)S(=O)(=O)Cl CM13637 [0,2,0,0,0,0|1,0,0]=3 59 B11R1.280 CCc1cc(ccc1O)C=O CM10870 [0,0,1,1,0,0|2,0,0]=4 60 B11R2.36 c1cc2c(cc1Br)CCO2 CM10336 [1,0,0,1,0,0|1,0,0]=3 61 B11R2.36 c1cc2c(cc1I)CCO2 CM10335 [1,0,0,1,0,0|1,0,0]=3 62 B11R2.36 c1cc2c(cc1N)CCO2 CM10334 [1,0,0,1,0,0|1,0,0]=3 63 B13R2.57 c1cc2c(cc1C=O)OCCO2 CM13983 [0,1,0,1,0,0|0,0,0]=2 64 B13R2.428 c1cc(ncc1C(=O)O)C2CC2 CM10535 [0,1,0,1,0,0|2,0,0]=4 65 B13R2.430 c1cc2c(cc1[N+](=O)[O-])CCO2 CM10339 [0,1,0,1,0,0|1,0,0]=3 66 B13R2.430 c1cc2c(cco2)cc1C(=O)O CM10755 [0,1,0,1,0,0|0,0,2]=4