0 B12R2.1081 c1cc2c(c(c1)O)OCCN2 AS06390 [0,0,0,0,0,0|2,0,2]=4 1 B12R2.1081 c1ccc2c(c1)cccc2Cl AS02472 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.1081 c1ccc2c(c1)cccc2F AS02917 [0,0,0,0,0,0|2,0,0]=2 3 B12R2.1081 c1ccc2c(c1)cccc2I AS06208 [0,0,0,0,0,0|2,0,0]=2 4 B12R2.1081 c1ccc2c(c1)cccc2N AS02473 [0,0,0,0,0,0|2,0,0]=2 5 B13R2.342 c1cc2c(c(c1)O)CCCC2=O AS02947 [0,1,0,0,0,0|1,0,2]=4 6 B13R2.1613 c1ccc2c(c1)cccc2CBr AS02445 [0,1,0,0,0,0|2,0,0]=3 7 B13R2.5179 c1cc2c(c(c1)O)OCC(=O)N2 AS06393 [0,1,0,0,0,0|2,0,1]=4 8 B11R2.1 c1ccc2c(c1)c(co2)Br AS06438 [0,0,0,0,1,0|3,0,0]=4 9 B11R2.1 c1ccc2c(c1)c(no2)O AS06287 [0,0,0,0,1,0|3,0,0]=4 10 B11R2.106 Cc1cccc2c1ccs2 AS06380 [0,0,0,0,1,0|2,0,0]=3 11 B11R2.106 Cc1cccc2c1occ2 AS06434 [0,0,0,0,1,0|2,0,0]=3 12 B11R2.106 c1cc(c2c(c1)ocn2)N AS06338 [0,0,0,0,1,0|2,0,0]=3 13 B11R2.106 c1cc(c2ccoc2c1)O AS06427 [0,0,0,0,1,0|1,0,0]=2 14 B11R2.106 c1cc(c2ccsc2c1)F AS06415 [0,0,0,0,1,0|2,0,0]=3 15 B11R2.106 c1cc2c(cc[nH]2)c(c1)F AS02112 [0,0,0,0,1,0|2,0,0]=3 16 B11R2.106 c1cc2c(ccs2)c(c1)Br AS06414 [0,0,0,0,1,0|2,0,0]=3 17 B11R2.106 c1cc2cc[nH]c2c(c1)F AS02114 [0,0,0,0,1,0|1,0,1]=3 18 B11R2.106 c1cc2ccoc2c(c1)Br AS06376 [0,0,0,0,1,0|2,0,0]=3 19 B11R2.106 c1cc2ccoc2c(c1)Cl AS06439 [0,0,0,0,1,0|2,0,0]=3 20 B11R2.106 c1cc2ccoc2c(c1)F AS06440 [0,0,0,0,1,0|2,0,0]=3 21 B10R1.2 c1cc(c(c(c1)O)F)C=O AS06364 [1,0,1,0,0,0|2,0,0]=4 22 B10R1.2 c1cc(c(c(c1)O)O)C=O AS04455 [1,0,1,0,0,0|2,0,0]=4 23 B10R1.15 C=CC(=O)c1ccccc1 AS07048 [1,0,1,0,0,0|1,0,1]=4 24 B10R1.245 Cc1cccc(c1C=O)O AS06354 [1,0,1,0,0,0|1,0,1]=4 25 B10R1.245 c1cc(c(c(c1)Cl)C=O)O AS05552 [1,0,1,0,0,0|2,0,0]=4 26 B10R1.245 c1cc(c(c(c1)F)C=O)O AS03081 [1,0,1,0,0,0|2,0,0]=4 27 B10R1.245 c1cc(c(c(c1)O)C=O)O AS04668 [1,0,1,0,0,0|2,0,0]=4 28 B12R1.226 c1cc(cc(c1)Br)C=CC(=O)O AS03177 [0,1,1,0,0,0|2,0,0]=4 29 B12R1.226 c1cc(cc(c1)Cl)C=CC(=O)O AS02691 [0,1,1,0,0,0|2,0,0]=4 30 B12R1.226 c1cc(cc(c1)F)C=CC(=O)O AS01283 [0,1,1,0,0,0|2,0,0]=4 31 B12R1.226 c1cc(cc(c1)F)C=CC(=O)O AS01921 [0,1,1,0,0,0|2,0,0]=4 32 B12R1.226 c1cc(cc(c1)I)C=CC(=O)O AS02227 [0,1,1,0,0,0|2,0,0]=4 33 B12R2.24 Cc1nc2ccccc2nn1 AS06650 [1,1,0,0,0,0|2,0,0]=4 34 B12R2.24 c1cc2cc(ccc2nc1)I AS06220 [1,1,0,0,0,0|0,0,0]=2 35 B12R2.24 c1ccc2cc(ccc2c1)Br AS02431 [1,1,0,0,0,0|1,0,0]=3 36 B12R2.82 c1cc(c(c2c1[nH]cc2)F)F AS02110 [0,1,0,0,1,0|2,0,0]=4 37 B12R2.82 c1cc(c(c2c1cco2)Br)F AS06424 [0,1,0,0,1,0|2,0,0]=4 38 B12R2.202 c1cc(c2c(c1)sc(n2)N)O AS06683 [0,1,0,0,1,0|1,0,0]=3 39 B12R2.221 c1cc(c2c(c1F)cco2)Br AS06421 [0,1,0,0,1,0|2,0,0]=4 40 B12R2.221 c1cc(c2ccoc2c1F)Br AS06449 [0,1,0,0,1,0|2,0,0]=4 41 B12R2.246 Cc1cc(cc2c1occ2)Br AS06426 [0,1,0,0,1,0|2,0,0]=4 42 B12R2.246 Cc1cc2ccoc2c(c1)Br AS06431 [0,1,0,0,1,0|2,0,0]=4 43 B12R2.246 c1c[nH]c2c1c(cc(c2)F)F AS06052 [0,1,0,0,1,0|2,0,0]=4 44 B12R2.246 c1c[nH]c2c1cc(cc2F)Br AS06862 [0,1,0,0,1,0|1,0,1]=4 45 B12R2.246 c1c[nH]c2c1cc(cc2F)F AS02111 [0,1,0,0,1,0|1,0,1]=4 46 B12R2.246 c1coc2c1cc(cc2Br)Br AS06435 [0,1,0,0,1,0|2,0,0]=4 47 B12R2.246 c1coc2c1cc(cc2Br)Cl AS06425 [0,1,0,0,1,0|2,0,0]=4 48 B12R2.246 c1coc2c1cc(cc2Br)F AS06419 [0,1,0,0,1,0|2,0,0]=4 49 B12R2.246 c1coc2c1cc(cc2Br)O AS06452 [0,1,0,0,1,0|2,0,0]=4 50 B12R2.246 c1coc2c1cc(cc2F)Br AS06423 [0,1,0,0,1,0|2,0,0]=4 51 B12R2.246 c1csc2c1c(cc(c2)Br)F AS06417 [0,1,0,0,1,0|2,0,0]=4 52 B12R2.315 c1cc(c2ccoc2c1)C#N AS06446 [0,1,0,0,1,0|2,0,0]=4 53 B12R2.315 c1cc(c2ccoc2c1)C=O AS06447 [0,1,0,0,1,0|1,0,1]=4 54 B10R2.7 c1cc2cc[nH]c2nc1 AS07114 [1,0,0,0,1,0|1,0,0]=3