0 B11R1.91 CC(=O)COc1ccccc1 CM11227 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.21 c1cc(ncc1C=CC(=O)O)N CM11013 [0,1,0,0,0,0|2,0,1]=4 2 B12R1.27 COC(=O)CCc1ccccc1 CM13745 [0,1,0,0,0,0|1,0,0]=2 3 B12R1.107 CC(c1ccccc1)NC(=O)C CM11017 [0,1,0,0,0,0|3,0,0]=4 4 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br CM13747 [0,1,0,0,0,0|1,0,0]=2 5 B12R1.226 c1cc(cc(c1)Br)C=CC(=O)O CM13573 [0,1,0,0,0,0|1,0,1]=3 6 B12R2.24 c1ccc2c(c1)[nH]c(=O)cn2 CM14099 [0,0,0,1,0,0|2,0,1]=4 7 B12R1.252 c1ccc(cc1)COCC(=O)O CM13869 [0,0,0,0,0,1|0,0,0]=1 8 B9R1.8 c1ccc(cc1)CNN CM14002 [2,0,0,0,0,0|2,0,0]=4 9 B9R1.8 c1ccc(cc1)CNO CM10002 [2,0,0,0,0,0|1,0,0]=3 10 B11R1.1 c1cc(ccc1OCCBr)Cl CM12086 [1,1,0,0,0,0|1,0,1]=4 11 B11R1.24 c1cc(cc(c1)Cl)OCCBr CM12085 [1,1,0,0,0,0|1,0,1]=4 12 B11R1.20 CC(=O)Cc1ccc(cc1)Cl CM10951 [0,1,0,0,1,0|1,0,0]=3 13 B11R1.20 CC(=O)Cc1ccc(cc1)F CM10927 [0,1,0,0,1,0|1,0,0]=3 14 B11R1.20 CC(=O)Oc1ccc(cc1)F CM12027 [0,1,0,0,1,0|1,0,0]=3 15 B11R1.20 c1cc(ccc1CC(=O)O)F CM13704 [0,1,0,0,1,0|0,0,0]=2 16 B11R1.20 c1cc(ccc1F)[ClH]C(=O)[O-] CM13921 [0,1,0,0,1,0|1,0,1]=4 17 B11R1.20 c1cc(ccc1[ClH]C(=O)[O-])Br CM13923 [0,1,0,0,1,0|1,0,1]=4 18 B11R1.86 CC(=O)Cc1ccccc1Cl CM10944 [0,1,0,0,1,0|1,0,0]=3 19 B11R1.86 CC(=O)Cc1ccccc1F CM10960 [0,1,0,0,1,0|1,0,0]=3 20 B11R1.157 Cc1cccc(c1)CC(=O)O CM13725 [0,1,0,0,1,0|0,0,0]=2 21 B11R1.157 c1cc(cc(c1)F)CC(=O)O CM13703 [0,1,0,0,1,0|0,0,0]=2 22 B11R1.157 c1cc(cc(c1)I)CC(=O)O CM13719 [0,1,0,0,1,0|0,0,0]=2 23 B13R1.45 c1ccc(cc1)C(=O)CCC(=O)O CM11066 [0,1,0,0,0,1|1,0,0]=3 24 B13R1.3 c1cc(ccc1CCC(=O)O)C=O CM10124 [0,2,0,0,0,0|1,0,0]=3 25 B13R1.14 COC(=O)C=Cc1ccc(cc1)Cl CM13579 [0,2,0,0,0,0|1,0,1]=4 26 B13R1.14 COC(=O)CCc1ccc(cc1)O CM13750 [0,2,0,0,0,0|1,0,0]=3 27 B13R1.164 c1cc(c(cc1Br)Cl)C=CC(=O)O CM13575 [0,2,0,0,0,0|1,0,1]=4 28 B13R1.511 c1cc(c(cc1C=CC(=O)O)Br)F CM13576 [0,2,0,0,0,0|1,0,1]=4 29 B13R1.511 c1cc(c(cc1C=CC(=O)O)Cl)F CM13580 [0,2,0,0,0,0|1,0,1]=4 30 B13R1.15 COC(=O)C=Cc1cccc(c1)Br CM13574 [0,2,0,0,0,0|1,0,1]=4 31 B13R1.15 COC(=O)CCc1cccc(c1)Br CM13748 [0,2,0,0,0,0|1,0,0]=3 32 B13R1.528 COC(=O)CCc1ccccc1Br CM13746 [0,2,0,0,0,0|1,0,0]=3 33 B13R1.893 c1cc(c(cc1F)C=CC(=O)O)F CM13577 [0,2,0,0,0,0|1,0,1]=4 34 B11R2.1 c1ccc2c(c1)CNC2=O CM10840 [1,0,0,1,0,0|2,0,0]=4 35 B11R2.1 c1ccc2c(c1)c(=O)[nH][nH]2 CM10841 [1,0,0,1,0,0|2,0,0]=4 36 B11R2.1 c1ccc2c(c1)c(co2)Br CM10750 [1,0,0,1,0,0|1,0,1]=4 37 B11R2.1 c1ccc2c(c1)c(no2)Cl CM10136 [1,0,0,1,0,0|2,0,0]=4 38 B11R2.1 c1ccc2c(c1)c(no2)O CM10137 [1,0,0,1,0,0|1,0,0]=3 39 B13R2.72 c1ccc2c(c1)c(c[nH]2)C(=O)O CM13587 [0,0,0,1,0,1|1,0,1]=4 40 B13R2.155 c1cc2c(cc1Br)NC(=O)CO2 CM10241 [0,1,0,1,0,0|1,0,0]=3 41 B13R2.155 c1cc2c(cc1Cl)NC(=O)CO2 CM10219 [0,1,0,1,0,0|1,0,0]=3 42 B13R2.155 c1cc2c(cc1O)NC(=O)CO2 CM10579 [0,1,0,1,0,0|1,0,0]=3 43 B13R2.33 c1ccc2c(c1)CCC(=O)CC2 CM10091 [0,1,0,1,0,0|2,0,0]=4 44 B13R2.5179 c1cc2c(c(c1)O)OCC(=O)N2 CM10584 [0,1,0,1,0,0|1,0,0]=3 45 B13R2.162 c1cc2c(c(c1)F)NC(=O)CO2 CM10140 [0,1,0,1,0,0|1,0,0]=3 46 B13R2.162 c1cc2c(c(c1)O)CC(=O)CC2 CM10046 [0,1,0,1,0,0|2,0,0]=4 47 B13R2.3683 c1cc2c(cc1Br)OCC(=O)N2 CM10088 [0,1,0,1,0,0|1,0,0]=3 48 B13R2.3683 c1cc2c(cc1F)CCC(=O)N2 CM10631 [0,1,0,1,0,0|2,0,0]=4 49 B13R2.3683 c1cc2c(cc1F)OCC(=O)N2 CM10308 [0,1,0,1,0,0|1,0,0]=3 50 B13R2.3683 c1cc2c(cc1O)OCC(=O)N2 CM10298 [0,1,0,1,0,0|1,0,0]=3 51 B9R1.6 c1cncnc1C(=O)O CM10263 [0,0,0,0,2,0|2,0,0]=4