0 B12R1.652 Cc1c(c(c(cn1)CCl)CO)O TS15880 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.652 Cc1c(c(c(cn1)CO)C=O)O TS60162 [0,0,0,0,0,0|0,0,2]=2 2 B12R1.652 Cc1c(c(c(cn1)CO)CN)O TS93861 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.652 Cc1c(c(c(cn1)CO)CO)O TS56031 [0,0,0,0,0,0|0,0,0]=0 4 B12R1.652 Cc1c(c(c(cn1)CO)CO)O TS61211 [0,0,0,0,0,0|0,0,0]=0 5 B11R1.72 Cc1ccc(c(c1Cl)CO)F TS13584 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.72 Cc1ccc(c(c1F)CO)Cl TS13595 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.72 Cc1cnc(c(c1C=O)O)C TS40997 [1,0,0,0,0,0|0,0,2]=3 8 B11R1.278 Cc1c(ccc(c1F)F)CO TS10935 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.278 Cc1c(cnc(c1O)C)CO TS16251 [1,0,0,0,0,0|0,0,0]=1 10 B11R1.278 Cc1ccc(c(c1F)C)CO TS41383 [1,0,0,0,0,0|2,0,0]=3 11 B13R1.2279 Cc1c(c(c(cn1)CO)C(=O)O)O TS48400 [0,1,0,0,0,0|0,0,1]=2 12 B13R1.3972 Cc1c(c(c(cn1)CO)COC)O TS15132 [0,1,0,0,0,0|0,0,0]=1 13 B10R1.20 CCc1ccncc1CC TS36953 [2,0,0,0,0,0|2,0,0]=4 14 B10R1.20 c1cc(c(nc1)CO)CO TS06365 [2,0,0,0,0,0|2,0,0]=4 15 B10R1.20 c1ccc(c(c1)CO)CO TS59881 [2,0,0,0,0,0|1,0,0]=3 16 B10R1.25 CCc1ccc(cc1C)C TS36871 [2,0,0,0,0,0|2,0,0]=4 17 B10R1.25 CCc1cnc(cc1N)C TS03292 [2,0,0,0,0,0|2,0,0]=4 18 B10R1.25 Cc1cc(ccc1CO)F TS06460 [2,0,0,0,0,0|2,0,0]=4 19 B10R1.25 Cc1cc(ncc1C#N)C TS05752 [2,0,0,0,0,0|1,0,1]=4 20 B10R1.25 Cc1ccc(c(c1)C)CBr TS54162 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.25 Cc1ccc(c(c1)C)CCl TS41471 [2,0,0,0,0,0|2,0,0]=4 22 B10R1.25 Cc1ccc(c(c1)C)CN TS06003 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.25 Cc1ccc(c(c1)C)CO TS37015 [2,0,0,0,0,0|1,0,0]=3 24 B10R1.25 Cc1ccc(c(n1)C)CO TS06194 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.25 Cc1ncc(c(n1)N)CO TS46541 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.25 c1c(c(cnc1Cl)CO)Cl TS46363 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.25 c1cc(c(cc1Br)O)CO TS60424 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.25 c1cc(c(cc1O)O)CO TS37344 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.30 CCc1cc(ccc1C)C TS05930 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.30 Cc1cc(c(nn1)O)CN TS88743 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.30 Cc1ccc(c(c1)CBr)C TS18767 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.30 Cc1ccc(c(c1)CCl)C TS41473 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.30 Cc1ccc(c(c1)CN)C TS36943 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.30 Cc1ccc(c(c1)CO)C TS06089 [2,0,0,0,0,0|1,0,0]=3 35 B10R1.30 Cc1ccc(c(n1)CO)O TS06364 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.30 Cc1ccc(cc1CO)F TS37367 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.30 c1c(c(cnc1Cl)F)CO TS07717 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.30 c1cc(c(cc1Br)CO)O TS71432 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.30 c1cc(c(cc1Cl)CO)O TS11082 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.2 CCc1cccc(c1O)C TS06085 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.2 Cc1c(c(ccn1)C=O)O TS37087 [2,0,0,0,0,0|0,0,2]=4 42 B10R1.2 Cc1c(cccc1F)CO TS09370 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.2 Cc1c(cccc1N)CO TS37119 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.2 Cc1cccc(c1C)CO TS37020 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.2 c1cc(c(c(c1)O)O)CN TS37279 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.119 Cc1ccc(c(c1C)C)C TS59878 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.119 Cc1ccc(c(c1C)F)C TS06284 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.119 Cc1ccc(c(c1C)O)C TS06083 [2,0,0,0,0,0|1,0,0]=3 49 B10R1.119 Cc1ccc(c(c1O)C)O TS06266 [2,0,0,0,0,0|1,0,0]=3 50 B10R1.245 Cc1cccc(c1CO)C TS06075 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.245 Cc1cncc(c1CO)C TS06185 [2,0,0,0,0,0|1,0,0]=3 52 B10R1.176 Cc1cc(cnc1Cl)CO TS10913 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.176 Cc1ccc(cc1C)CO TS65455 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.176 Cc1ccc(cc1Cl)CO TS41715 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.176 Cc1ccc(cc1F)CO TS06453 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.176 c1c(cnc(c1Cl)Cl)CO TS46361 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.176 c1cc(c(cc1CO)O)I TS39307 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.176 c1cc(c(cc1CO)O)O TS37342 [2,0,0,0,0,0|2,0,0]=4 59 B12R1.448 Cc1cc(c(cc1C)CO)CO TS43117 [1,1,0,0,0,0|1,0,0]=3 60 B12R1.448 c1c(c(cc(c1Cl)Cl)CO)CO TS39135 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.300 Cc1cc(cc(c1O)CO)SC TS15317 [0,0,0,0,1,1|2,0,0]=4 62 B12R1.300 c1c(oc(c(c1=O)O)CO)CO TS13114 [0,0,0,0,1,1|1,0,0]=3