0 B12R1.286 CCOc1ccc(c(c1)OC)Br DA-29616 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.192 C=CCc1ccc(c(c1)Cl)Br DA-21498 [1,0,0,0,0,0|2,0,0]=3 2 B11R1.192 CCCc1ccc(c(c1)Cl)O DA-26541 [1,0,0,0,0,0|1,0,2]=4 3 B11R1.192 COCc1ccc(c(c1)Cl)O DA-26603 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.192 Cc1cc(ccc1F)CC#N DA-39398 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.192 Cc1cc(ccc1O)CCO DA-28168 [1,0,0,0,0,0|1,0,1]=3 6 B11R1.192 c1cc(c(cc1CCO)Br)O DA-24018 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.192 c1cc(c(cc1CCO)Cl)O DA-23796 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.280 CCc1cc(ccc1F)CN DA-23639 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.280 CCc1cc(ccc1F)CO DA-23638 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.280 CCc1cc(ccc1O)C=O DA-23637 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.280 CCc1cc(ccc1O)CO DA-23636 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.280 CCc1ccc(c(c1)C#N)O DA-37391 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.280 COc1c(ccc(n1)C=O)Cl DA-47174 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.280 COc1cc(ccc1Br)CBr DA-29640 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.280 COc1cc(ccc1Cl)CN DA-31949 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.280 COc1cc(ccc1Cl)NN DA-31950 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.280 COc1cc(ccc1N)C#N DA-21349 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.280 Cc1ccc(nc1OC)C=O DA-46974 [1,0,0,0,0,0|3,0,0]=4 19 B13R1.52 CN(C)Cc1ccc(c(c1)OC)N DA-21779 [0,1,0,0,0,0|2,0,1]=4 20 B13R1.52 CN(C)Cc1ccc(c(c1)OC)O DA-21778 [0,1,0,0,0,0|1,0,1]=3 21 B13R1.384 CCCc1ccc(c(c1)CCC)O DA-27254 [0,1,0,0,0,0|1,0,2]=4 22 B13R1.386 COc1ccc(cc1OC)CCCl DA-22855 [0,1,0,0,0,0|1,0,1]=3 23 B13R1.575 CCCOc1ccc(c(c1)OC)Br DA-29675 [0,1,0,0,0,0|1,0,2]=4 24 B13R1.575 COc1cc(ccc1O)CN=C=O DA-22186 [0,1,0,0,0,0|1,0,1]=3 25 B13R2.449 c1cc2c(cc1CCI)CCO2 DA-27387 [0,0,0,1,0,0|2,0,1]=4 26 B13R2.599 COc1cc2c(cc1Cl)CNC2 DA-37467 [0,0,0,1,0,0|2,0,1]=4 27 B13R2.599 COc1cc2c(cc1N)cn[nH]2 DA-41485 [0,0,0,1,0,0|3,0,0]=4 28 B13R2.599 Cc1cc2c(cc[nH]2)cc1OC DA-37186 [0,0,0,1,0,0|2,0,1]=4 29 B10R1.10 C=CCc1cccc(c1)Br DA-29840 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.10 C=CCc1cccc(c1)O DA-24348 [2,0,0,0,0,0|0,0,0]=2 31 B10R1.10 Cc1cccc(c1)CCO DA-23326 [2,0,0,0,0,0|1,0,1]=4 32 B10R1.172 CCc1cccc(c1)CN DA-32032 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.172 COc1cc(ccn1)CCl DA-22276 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.172 CSc1cccc(c1)CN DA-25585 [2,0,0,0,0,0|1,1,0]=4 35 B10R1.172 CSc1cccc(c1)CO DA-32074 [2,0,0,0,0,0|1,1,0]=4 36 B10R1.176 C=Cc1ccc(c(c1)F)Cl DA-29552 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.176 CCc1ccc(c(c1)Br)O DA-41824 [2,0,0,0,0,0|1,0,1]=4 38 B10R1.176 Cc1cc(ccc1F)CO DA-39397 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.176 Cc1cc(ccc1I)CO DA-39302 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.176 Cc1cc(ccc1O)CN DA-22359 [2,0,0,0,0,0|1,0,0]=3 41 B10R1.176 c1cc(c(cc1CN)Br)O DA-22362 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.176 c1cc(c(cc1CN)F)O DA-22360 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.176 c1cc(c(cc1CN)F)O DA-22361 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.176 c1cc(c(cc1CN)O)Cl DA-38498 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.176 c1cc(c(cc1CO)F)O DA-40006 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.30 CCc1cc(ccc1O)Br DA-39939 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.30 COc1c(ccc(n1)I)O DA-46210 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.30 Cc1ccc(c(c1)NC)N DA-46240 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.30 Cc1ccc(c(n1)OC)Cl DA-23848 [2,0,0,0,0,0|2,0,0]=4 50 B12R1.382 C=CCCc1cccc(c1)CCl DA-31222 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.382 CNCCc1cccc(c1)OC DA-28419 [1,1,0,0,0,0|0,0,2]=4 52 B12R1.438 CC(=C)Cc1cccc(c1)SC DA-31348 [1,1,0,0,0,0|0,1,0]=3 53 B12R1.438 CC(Cc1cccc(c1)OC)Br DA-31443 [1,1,0,0,0,0|0,0,2]=4 54 B12R1.438 CC(Cc1cccc(c1)OC)O DA-31166 [1,1,0,0,0,0|0,0,2]=4 55 B12R1.438 COc1cccc(n1)CC(=O)O DA-36079 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.19 Cc1cc(ccc1Cl)CC(=O)O DA-39637 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.19 Cc1cc(ccc1N)CC(=O)O DA-21426 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.288 COc1ccc(cc1O)CCO DA-23557 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.288 Cc1cc(ccc1CO)CCO DA-22191 [1,1,0,0,0,0|1,0,1]=4 60 B12R1.385 CCCCc1ccc(c(c1)C)O DA-39784 [1,1,0,0,0,0|0,0,2]=4 61 B12R1.385 Cc1cc(ccc1N)OCC=C DA-22368 [1,1,0,0,0,0|1,0,0]=3 62 B12R1.385 Cc1ccc(cc1N)OCC=C DA-38502 [1,1,0,0,0,0|2,0,0]=4 63 B12R1.544 C=CCc1ccc(c(c1O)Cl)Cl DA-27440 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.56 CC(=O)c1ccc(c(c1)OC)Br DA-31071 [1,1,0,0,0,0|1,0,1]=4 65 B12R1.56 COc1cc(ccc1I)C(=O)N DA-39304 [1,1,0,0,0,0|2,0,0]=4 66 B12R1.56 COc1cc(ccc1I)C(=O)O DA-39303 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.78 COc1cc(ncc1OC)CO DA-21954 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.449 COc1cc(c(cc1Br)F)C=O DA-39938 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.449 COc1cc(c(cc1F)Br)C=O DA-26845 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.449 COc1cc(c(cc1F)F)C=O DA-27282 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.449 Cc1cc(c(cc1SC)OC)O DA-25993 [1,1,0,0,0,0|1,0,1]=4 72 B12R1.654 CCc1c(ccc(c1O)C=O)O DA-23648 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.654 COc1c(ccc(c1Cl)C=O)F DA-26573 [1,1,0,0,0,0|2,0,0]=4 74 B14R1.41 CC(C(c1ccc(c(c1)OC)O)O)O DA-30980 [0,2,0,0,0,0|0,0,2]=4 75 B14R1.3405 COc1cc(ccc1O)CC(CO)O DA-25168 [0,2,0,0,0,0|0,0,2]=4 76 B14R1.10285 COc1ccc(c(c1OC)Cl)CCN DA-26669 [0,2,0,0,0,0|1,0,1]=4 77 B12R2.44 CCc1ccc2ccsc2c1 DA-36165 [1,0,0,1,0,0|2,0,0]=4 78 B14R2.37948 CC=C1c2cc(c(cc2O1)O)OC DA-39473 [0,1,0,1,0,0|0,0,2]=4 79 B14R2.1128 COc1cc2ccccc2cc1Br DA-26892 [0,1,0,1,0,0|1,0,1]=4 80 B14R2.1128 COc1cc2cccnc2cc1Br DA-35753 [0,1,0,1,0,0|1,0,1]=4 81 B14R2.1128 COc1cc2ccncc2cc1Br DA-35754 [0,1,0,1,0,0|1,0,1]=4 82 B14R2.1128 Cc1cc2cccnc2cc1OC DA-35605 [0,1,0,1,0,0|1,0,1]=4