0 B12R2.44 c1cc(cc2c1cco2)C#N CM10742 [0,0,0,0,0,0|2,0,2]=4 1 B12R2.44 c1cc(cc2c1cco2)C=O CM10731 [0,0,0,0,0,0|1,0,1]=2 2 B12R2.44 c1cc2c(cco2)cc1C#N CM10753 [0,0,0,0,0,0|2,0,2]=4 3 B12R2.44 c1cc2c(cco2)cc1C=O CM10754 [0,0,0,0,0,0|1,0,1]=2 4 B11R2.36 Cc1ccc2c(c1)cco2 CM10745 [1,0,0,0,0,0|1,0,2]=4 5 B11R2.36 c1cc(cc2c1cco2)Br CM10729 [1,0,0,0,0,0|2,0,1]=4 6 B11R2.36 c1cc(cc2c1cco2)O CM10757 [1,0,0,0,0,0|1,0,2]=4 7 B11R2.36 c1cc2c(cc1Br)CCO2 CM10336 [1,0,0,0,0,0|2,0,0]=3 8 B11R2.36 c1cc2c(cc1Br)OCC2 CM10763 [1,0,0,0,0,0|2,0,0]=3 9 B11R2.36 c1cc2c(cc1I)CCO2 CM10335 [1,0,0,0,0,0|2,0,0]=3 10 B11R2.36 c1cc2c(cc1N)CCO2 CM10334 [1,0,0,0,0,0|2,0,0]=3 11 B11R2.36 c1cc2c(cco2)cc1Br CM10728 [1,0,0,0,0,0|2,0,1]=4 12 B11R2.36 c1cc2c(cco2)cc1Cl CM10740 [1,0,0,0,0,0|2,0,1]=4 13 B11R2.36 c1cc2c(cco2)cc1F CM10741 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.430 CC(=O)c1ccc2cc[nH]c2c1 CM13588 [0,1,0,0,0,0|2,0,1]=4 15 B13R2.430 c1cc(cc2c1cco2)C(=O)O CM10756 [0,1,0,0,0,0|1,0,1]=3 16 B13R2.430 c1cc(cc2c1cco2)[N+](=O)[O-] CM10765 [0,1,0,0,0,0|2,0,1]=4 17 B13R2.430 c1cc(cc2c1ccs2)C(=O)O CM10726 [0,1,0,0,0,0|1,1,1]=4 18 B13R2.430 c1cc2c(cc1[N+](=O)[O-])CCO2 CM10339 [0,1,0,0,0,0|2,0,0]=3 19 B13R2.430 c1cc2c(cco2)cc1C(=O)O CM10755 [0,1,0,0,0,0|1,0,1]=3 20 B13R2.430 c1cc2c(ccs2)cc1C(=O)O CM10619 [0,1,0,0,0,0|1,1,1]=4 21 B11R1.83 CCOc1ccc(cc1)CO CM13402 [0,0,1,0,0,0|1,0,2]=4 22 B11R1.189 CCOc1cccc(c1)C=O CM11945 [0,0,1,0,0,0|1,0,0]=2 23 B11R1.279 COc1ccc(c(c1)F)OC CM12240 [0,0,1,0,0,0|3,0,0]=4 24 B11R1.279 COc1ccc(c(c1)O)OC CM10473 [0,0,1,0,0,0|2,0,0]=3 25 B11R1.279 COc1ccc(cc1Br)C#N CM12980 [0,0,1,0,0,0|2,0,1]=4 26 B11R1.279 COc1ccc(cc1Cl)C#N CM13017 [0,0,1,0,0,0|2,0,1]=4 27 B11R1.279 COc1ccc(cc1Cl)C=O CM10157 [0,0,1,0,0,0|1,0,0]=2 28 B11R1.279 COc1ccc(cc1F)C#N CM13083 [0,0,1,0,0,0|2,0,1]=4 29 B11R1.279 COc1ccc(cc1F)C=O CM11964 [0,0,1,0,0,0|1,0,0]=2 30 B11R1.279 COc1ccc(cc1O)C=O CM13992 [0,0,1,0,0,0|0,0,0]=1 31 B11R1.279 Cc1cc(ccc1OC)C=O CM11999 [0,0,1,0,0,0|1,0,0]=2 32 B11R1.280 CCc1cc(ccc1O)C=O CM10870 [0,0,1,0,0,0|1,0,0]=2 33 B11R1.280 COc1cc(ccc1Br)C#N CM12982 [0,0,1,0,0,0|2,0,1]=4 34 B11R1.280 COc1cc(ccc1F)C#N CM13085 [0,0,1,0,0,0|2,0,1]=4 35 B11R1.280 COc1cc(ccc1F)C=O CM11966 [0,0,1,0,0,0|1,0,0]=2 36 B11R1.280 COc1cc(ccc1F)CBr CM13412 [0,0,1,0,0,0|2,0,1]=4 37 B11R1.280 COc1cc(ccc1F)CN CM13540 [0,0,1,0,0,0|2,0,1]=4 38 B11R1.280 COc1cc(ccc1F)CO CM13410 [0,0,1,0,0,0|1,0,2]=4 39 B11R1.280 COc1cc(ccc1O)CN CM10042 [0,0,1,0,0,0|1,0,1]=3 40 B11R1.280 COc1ccc(c(c1)OC)F CM12239 [0,0,1,0,0,0|3,0,0]=4 41 B11R1.280 Cc1ccc(cc1OC)C#N CM13132 [0,0,1,0,0,0|2,0,1]=4 42 B11R1.280 c1cc(c(cc1C=O)C#N)F CM11913 [0,0,1,0,0,0|3,0,0]=4 43 B13R2.57 c1cc2c(cc1C=O)OCCO2 CM13983 [0,0,0,0,0,1|0,0,0]=1 44 B10R1.1 c1cc(ccc1CCO)Cl CM13495 [1,0,1,0,0,0|2,0,0]=4 45 B10R1.1 c1cc(ccc1CCO)F CM13508 [1,0,1,0,0,0|2,0,0]=4 46 B10R1.1 c1cc(ccc1CCO)O CM10966 [1,0,1,0,0,0|1,0,1]=4 47 B10R1.3 c1cc(ccc1CO)CBr CM13301 [1,0,1,0,0,0|1,0,1]=4 48 B10R1.10 c1cc(cc(c1)F)CCO CM13507 [1,0,1,0,0,0|2,0,0]=4 49 B10R1.10 c1cc(cc(c1)N)CCO CM10010 [1,0,1,0,0,0|2,0,0]=4 50 B10R1.172 COc1cccc(c1)CCl CM10947 [1,0,1,0,0,0|1,0,1]=4 51 B10R1.172 COc1ccnc(c1)C=O CM10390 [1,0,1,0,0,0|1,0,0]=3 52 B10R1.25 COc1ccc(cc1Br)F CM11629 [1,0,1,0,0,0|2,0,0]=4 53 B10R1.25 COc1ccc(cc1Cl)F CM11675 [1,0,1,0,0,0|2,0,0]=4 54 B10R1.25 COc1ccc(cc1F)Br CM11639 [1,0,1,0,0,0|2,0,0]=4 55 B10R1.25 COc1ccc(cc1F)N CM11578 [1,0,1,0,0,0|2,0,0]=4 56 B10R1.25 COc1ccc(cc1F)O CM10878 [1,0,1,0,0,0|1,0,1]=4 57 B10R1.25 COc1ccc(cc1I)N CM11589 [1,0,1,0,0,0|2,0,0]=4 58 B10R1.25 COc1ccc(cc1N)F CM10389 [1,0,1,0,0,0|2,0,0]=4 59 B10R1.25 COc1ccc(cc1N)I CM11585 [1,0,1,0,0,0|2,0,0]=4 60 B10R1.25 Cc1cc(ccc1OC)N CM11595 [1,0,1,0,0,0|2,0,0]=4 61 B10R1.25 Cc1ccc(c(c1)Cl)OC CM10214 [1,0,1,0,0,0|1,0,1]=4 62 B10R1.176 CCc1ccc(c(c1)O)O CM10874 [1,0,1,0,0,0|1,0,1]=4 63 B10R1.176 Cc1cc(ccc1Cl)C=O CM11897 [1,0,1,0,0,0|1,0,0]=3 64 B10R1.176 Cc1cc(ccc1O)C=O CM11993 [1,0,1,0,0,0|0,0,0]=2 65 B10R1.176 Cc1cc(cnc1O)C=O CM10161 [1,0,1,0,0,0|1,0,0]=3 66 B10R1.176 Cc1ccc(cc1C)C=O CM11941 [1,0,1,0,0,0|1,0,0]=3 67 B10R1.176 Cc1ccc(cc1F)C=O CM11972 [1,0,1,0,0,0|1,0,0]=3 68 B10R1.176 c1cc(c(cc1C=O)Br)O CM11852 [1,0,1,0,0,0|1,0,0]=3 69 B10R1.176 c1cc(c(cc1C=O)Cl)F CM11879 [1,0,1,0,0,0|2,0,0]=4 70 B10R1.176 c1cc(c(cc1C=O)F)Br CM11843 [1,0,1,0,0,0|2,0,0]=4 71 B10R1.176 c1cc(c(cc1C=O)F)Cl CM11882 [1,0,1,0,0,0|2,0,0]=4 72 B10R1.176 c1cc(c(cc1C=O)F)F CM11932 [1,0,1,0,0,0|2,0,0]=4 73 B10R1.176 c1cc(c(cc1C=O)F)I CM11955 [1,0,1,0,0,0|2,0,0]=4 74 B10R1.176 c1cc(c(cc1C=O)F)O CM11950 [1,0,1,0,0,0|1,0,0]=3 75 B10R1.176 c1cc(c(cc1C=O)I)Br CM10864 [1,0,1,0,0,0|2,0,0]=4 76 B10R1.176 c1cc(c(cc1C=O)I)Cl CM10865 [1,0,1,0,0,0|2,0,0]=4 77 B10R1.176 c1cc(c(cc1C=O)I)F CM10860 [1,0,1,0,0,0|2,0,0]=4 78 B10R1.176 c1cc(c(cc1C=O)I)I CM10863 [1,0,1,0,0,0|2,0,0]=4 79 B10R1.176 c1cc(c(cc1C=O)O)Br CM11854 [1,0,1,0,0,0|1,0,0]=3 80 B10R1.176 c1cc(c(cc1C=O)O)O CM13991 [1,0,1,0,0,0|0,0,0]=2 81 B10R1.30 COc1cc(ccc1Br)F CM11630 [1,0,1,0,0,0|2,0,0]=4 82 B10R1.30 COc1cc(ccc1Br)I CM11648 [1,0,1,0,0,0|2,0,0]=4 83 B10R1.30 COc1cc(ccc1Br)N CM11550 [1,0,1,0,0,0|2,0,0]=4 84 B10R1.30 COc1cc(ccc1Cl)F CM11676 [1,0,1,0,0,0|2,0,0]=4 85 B10R1.30 COc1cc(ccc1Cl)I CM11687 [1,0,1,0,0,0|2,0,0]=4 86 B10R1.30 COc1cc(ccc1Cl)N CM11557 [1,0,1,0,0,0|2,0,0]=4 87 B10R1.30 COc1cc(ccc1Cl)O CM10884 [1,0,1,0,0,0|1,0,1]=4 88 B10R1.30 COc1cc(ccc1F)F CM11723 [1,0,1,0,0,0|2,0,0]=4 89 B10R1.30 COc1cc(ccc1F)N CM11582 [1,0,1,0,0,0|2,0,0]=4 90 B10R1.30 COc1cc(ccc1F)O CM11756 [1,0,1,0,0,0|1,0,1]=4 91 B10R1.30 COc1cc(ccc1I)Br CM11652 [1,0,1,0,0,0|2,0,0]=4 92 B10R1.30 COc1cc(ccc1I)Cl CM11691 [1,0,1,0,0,0|2,0,0]=4 93 B10R1.30 COc1cc(ccc1I)I CM10921 [1,0,1,0,0,0|2,0,0]=4 94 B10R1.30 COc1cc(ccc1N)Br CM10651 [1,0,1,0,0,0|2,0,0]=4 95 B10R1.30 COc1cc(ccc1N)F CM11572 [1,0,1,0,0,0|2,0,0]=4 96 B10R1.30 COc1cc(ccc1N)I CM11586 [1,0,1,0,0,0|2,0,0]=4 97 B10R1.30 COc1cc(ccc1O)N CM10211 [1,0,1,0,0,0|1,0,0]=3 98 B10R1.30 Cc1ccc(c(c1)OC)Br CM11655 [1,0,1,0,0,0|1,0,1]=4 99 B12R1.113 CCOc1ccc(cc1)C(=O)O CM12707 [0,1,1,0,0,0|1,0,0]=3 100 B12R1.48 CC(=O)c1ccc(c(c1)F)OC CM11203 [0,1,1,0,0,0|1,0,0]=3 101 B12R1.48 COc1ccc(cc1F)C(=O)Cl CM12751 [0,1,1,0,0,0|1,0,0]=3 102 B12R1.48 COc1ccc(cc1F)C(=O)O CM12750 [0,1,1,0,0,0|1,0,0]=3 103 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] CM11783 [0,1,1,0,0,0|2,0,0]=4 104 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] CM11600 [0,1,1,0,0,0|2,0,0]=4 105 B12R1.48 Cc1cc(ccc1OC)[N+](=O)[O-] CM11789 [0,1,1,0,0,0|2,0,0]=4 106 B12R1.78 COc1ccc(cc1OC)C=O CM13990 [0,1,1,0,0,0|0,0,0]=2 107 B12R1.78 COc1ccc(cc1OC)CCl CM10937 [0,1,1,0,0,0|1,0,1]=4 108 B12R1.78 COc1ccc(cc1OC)CO CM13395 [0,1,1,0,0,0|0,0,2]=4 109 B12R1.653 COc1ccc(c(c1O)Cl)C=O CM11887 [0,1,1,0,0,0|0,0,0]=2 110 B12R1.56 CC(=O)c1ccc(c(c1)OC)F CM11204 [0,1,1,0,0,0|1,0,0]=3 111 B12R1.56 CC(=O)c1ccc(c(c1)OC)O CM10957 [0,1,1,0,0,0|0,0,0]=2 112 B12R1.56 CCc1cc(ccc1N)C(=O)O CM12392 [0,1,1,0,0,0|2,0,0]=4 113 B12R1.56 COc1cc(ccc1Br)C(=O)O CM12524 [0,1,1,0,0,0|1,0,0]=3 114 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] CM11659 [0,1,1,0,0,0|2,0,0]=4 115 B12R1.56 COc1cc(ccc1Cl)C(=O)O CM12590 [0,1,1,0,0,0|1,0,0]=3 116 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] CM11693 [0,1,1,0,0,0|2,0,0]=4 117 B12R1.56 COc1cc(ccc1F)C(=O)O CM12753 [0,1,1,0,0,0|1,0,0]=3 118 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] CM11767 [0,1,1,0,0,0|2,0,0]=4 119 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] CM11784 [0,1,1,0,0,0|2,0,0]=4 120 B12R1.56 COc1cc(ccc1N)C(=O)O CM12425 [0,1,1,0,0,0|1,0,0]=3 121 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] CM11601 [0,1,1,0,0,0|2,0,0]=4 122 B12R1.56 c1cc(c(cc1C(=O)O)C#N)O CM10476 [0,1,1,0,0,0|2,0,0]=4 123 B12R2.132 c1cc2c(cc1Br)C(=O)CO2 CM10486 [1,1,0,0,0,0|2,0,0]=4 124 B12R2.132 c1cc2c(cc1Br)C(=O)CO2 CM10771 [1,1,0,0,0,0|2,0,0]=4 125 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 CM10770 [1,1,0,0,0,0|2,0,0]=4 126 B12R2.612 c1cc2c(cc1Br)OCC2=O CM10487 [1,1,0,0,0,0|2,0,0]=4 127 B12R2.612 c1cc2c(cc1Cl)OCC2=O CM10772 [1,1,0,0,0,0|2,0,0]=4 128 B12R2.612 c1cc2c(cc1O)OCC2=O CM10744 [1,1,0,0,0,0|1,0,1]=4 129 B14R2.966 c1cc2c(cc1C(=O)CCl)CCO2 CM14416 [0,2,0,0,0,0|1,0,0]=3 130 B14R2.1008 c1cc2c(cc1CC(=O)O)OCO2 CM13726 [0,2,0,0,0,0|0,0,0]=2 131 B14R2.3303 c1cc2c(cc1C=O)OC(O2)(F)F CM10085 [0,2,0,0,0,0|0,0,0]=2 132 B12R2.315 c1cc(c2ccoc2c1)C=O CM10759 [0,0,1,1,0,0|1,0,1]=4 133 B12R2.24 c1cc2c(cc1Br)CCOC2 CM10629 [1,0,0,0,0,1|2,0,0]=4 134 B12R2.24 c1cc2c(cc1Br)NCCO2 CM10585 [1,0,0,0,0,1|2,0,0]=4 135 B12R2.24 c1cc2c(cc1Br)OCCN2 CM10582 [1,0,0,0,0,1|2,0,0]=4 136 B12R2.24 c1cc2c(cc1Cl)NCCO2 CM10578 [1,0,0,0,0,1|2,0,0]=4 137 B12R2.24 c1cc2c(cc1O)OCCN2 CM10299 [1,0,0,0,0,1|1,0,1]=4