0 B12R2.1081 c1cc2c(c(c1)O)OCCN2 CM10580 [0,0,0,0,0,0|2,0,2]=4 1 B12R2.1081 c1cc2cnccc2c(c1)Br CM10257 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.1081 c1cc2cnccc2c(c1)N CM10928 [0,0,0,0,0,0|3,0,0]=3 3 B12R2.1081 c1ccc2c(c1)cccc2I CM13878 [0,0,0,0,0,0|2,0,0]=2 4 B12R2.1081 c1ccc2c(c1)ccnc2Cl CM10596 [0,0,0,0,0,0|3,0,0]=3 5 B12R2.1081 c1ccc2c(c1)ccnc2N CM10316 [0,0,0,0,0,0|3,0,0]=3 6 B11R2.20 c1cc2c(cccn2)nc1 CM10135 [1,0,0,0,0,0|1,0,0]=2 7 B11R2.20 c1ccc2cnccc2c1 CM14380 [1,0,0,0,0,0|2,0,0]=3 8 B13R2.32 c1cc2c(c(c1N)Br)nccn2 CM14407 [0,1,0,0,0,0|2,0,0]=3 9 B13R2.32 c1ccc2c(c1)ccc(c2O)Br CM11054 [0,1,0,0,0,0|1,0,0]=2 10 B13R2.32 c1ccc2c(c1)cnc(c2Br)N CM10321 [0,1,0,0,0,0|3,0,0]=4 11 B13R2.162 c1cc2c(c(c1)O)CC(=O)CC2 CM10046 [0,1,0,0,0,0|1,0,2]=4 12 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)Br CM10591 [0,1,0,0,0,0|1,0,1]=3 13 B13R2.162 c1cc2ccc(nc2c(c1)Br)N CM10275 [0,1,0,0,0,0|1,0,0]=2 14 B13R2.328 Cc1cc2ccccc2c(n1)O CM10269 [0,1,0,0,0,0|2,0,0]=3 15 B13R2.328 c1ccc2c(c1)c(=O)cc([nH]2)N CM10363 [0,1,0,0,0,0|2,0,1]=4 16 B13R2.328 c1ccc2c(c1)c(cc(n2)Br)N CM10156 [0,1,0,0,0,0|3,0,0]=4 17 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Br CM10588 [0,1,0,0,0,0|3,0,0]=4 18 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Cl CM10367 [0,1,0,0,0,0|3,0,0]=4 19 B13R2.328 c1ccc2c(c1)c(nc(n2)N)O CM10369 [0,1,0,0,0,0|3,0,0]=4 20 B13R2.328 c1ccc2c(c1)c(nc(n2)O)O CM14472 [0,1,0,0,0,0|3,0,0]=4 21 B13R2.342 c1cc2c(ccnc2Cl)c(c1)Br CM10590 [0,1,0,0,0,0|3,0,0]=4 22 B13R2.342 c1cc2c(ccnc2N)c(c1)Br CM10589 [0,1,0,0,0,0|3,0,0]=4 23 B13R2.342 c1cc2c(ccnc2O)c(c1)Br CM10594 [0,1,0,0,0,0|2,0,0]=3 24 B13R2.1613 c1ccc2c(c1)c(ccn2)C=O CM10595 [0,1,0,0,0,0|2,0,1]=4 25 B13R2.1613 c1ccc2c(c1)c(ccn2)CO CM10355 [0,1,0,0,0,0|2,0,0]=3 26 B13R2.1613 c1ccc2c(c1)cncc2C=O CM10264 [0,1,0,0,0,0|2,0,1]=4 27 B13R2.5179 c1cc2c(c(c1)O)OCC(=O)N2 CM10584 [0,1,0,0,0,0|2,0,1]=4 28 B13R2.5179 c1cc2c(ccc(n2)N)c(c1)Br CM10587 [0,1,0,0,0,0|3,0,0]=4 29 B13R2.5179 c1cc2cc(cnc2c(c1)Br)I CM10183 [0,1,0,0,0,0|1,0,0]=2 30 B11R2.1 c1ccc2c(c1)c(co2)Br CM10750 [0,0,0,0,1,0|3,0,0]=4 31 B11R2.1 c1ccc2c(c1)c(no2)O CM10137 [0,0,0,0,1,0|3,0,0]=4 32 B11R2.106 Cc1cccc2c1ccs2 CM10545 [0,0,0,0,1,0|2,0,0]=3 33 B11R2.106 Cc1cccc2c1occ2 CM10746 [0,0,0,0,1,0|2,0,0]=3 34 B11R2.106 c1c[nH]c2c1c(ccn2)Br CM14081 [0,0,0,0,1,0|3,0,0]=4 35 B11R2.106 c1c[nH]c2c1c(ccn2)Cl CM14082 [0,0,0,0,1,0|3,0,0]=4 36 B11R2.106 c1cc(c2c(c1)ocn2)N CM10312 [0,0,0,0,1,0|2,0,0]=3 37 B11R2.106 c1cc(c2ccoc2c1)O CM10739 [0,0,0,0,1,0|1,0,0]=2 38 B11R2.106 c1cc(c2ccsc2c1)F CM10724 [0,0,0,0,1,0|2,0,0]=3 39 B11R2.106 c1cc2c(cc[nH]2)c(c1)F CM13604 [0,0,0,0,1,0|2,0,0]=3 40 B11R2.106 c1cc2c(ccs2)c(c1)Br CM10723 [0,0,0,0,1,0|2,0,0]=3 41 B11R2.106 c1cc2cc[nH]c2c(c1)F CM13609 [0,0,0,0,1,0|1,0,1]=3 42 B11R2.106 c1cc2ccoc2c(c1)Br CM10530 [0,0,0,0,1,0|2,0,0]=3 43 B11R2.106 c1cc2ccoc2c(c1)Cl CM10751 [0,0,0,0,1,0|2,0,0]=3 44 B11R2.106 c1cc2ccoc2c(c1)F CM10752 [0,0,0,0,1,0|2,0,0]=3 45 B11R2.106 c1cnc(c2c1occ2)Cl CM14121 [0,0,0,0,1,0|3,0,0]=4 46 B11R2.106 c1csc2c1c(cnc2)Br CM10775 [0,0,0,0,1,0|3,0,0]=4 47 B10R1.2 c1cc(c(c(c1)O)F)C=O CM10470 [1,0,1,0,0,0|2,0,0]=4 48 B10R1.245 C=Cc1c(cccc1F)F CM13492 [1,0,1,0,0,0|2,0,0]=4 49 B10R1.245 Cc1cccc(c1C=O)O CM10373 [1,0,1,0,0,0|1,0,1]=4 50 B10R1.245 c1cc(c(c(c1)Cl)C=O)O CM11884 [1,0,1,0,0,0|2,0,0]=4 51 B10R1.245 c1cc(c(c(c1)F)C=O)O CM10484 [1,0,1,0,0,0|2,0,0]=4 52 B12R1.226 c1cc(cc(c1)Br)C=CC(=O)O CM13573 [0,1,1,0,0,0|2,0,0]=4 53 B12R2.24 c1cc(=O)[nH]c2c1cncc2 CM10284 [1,1,0,0,0,0|1,0,1]=4 54 B12R2.24 c1cc(cc2c1ccnc2)O CM10593 [1,1,0,0,0,0|2,0,0]=4 55 B12R2.24 c1cc2c(ccc(n2)O)nc1 CM10314 [1,1,0,0,0,0|1,0,0]=3 56 B12R2.24 c1cc2cc(ccc2nc1)I CM13892 [1,1,0,0,0,0|0,0,0]=2 57 B12R2.24 c1cc2cnccc2cc1F CM10586 [1,1,0,0,0,0|2,0,0]=4 58 B12R2.24 c1ccc2c(c1)[nH]c(=O)cn2 CM14099 [1,1,0,0,0,0|1,0,0]=3 59 B12R2.82 c1cc(c(c2c1[nH]cc2)F)F CM13598 [0,1,0,0,1,0|2,0,0]=4 60 B12R2.82 c1cc(c(c2c1cco2)Br)F CM10735 [0,1,0,0,1,0|2,0,0]=4 61 B12R2.221 c1cc(c2c(c1F)cc[nH]2)F CM14078 [0,1,0,0,1,0|1,0,1]=4 62 B12R2.221 c1cc(c2c(c1F)cco2)Br CM10732 [0,1,0,0,1,0|2,0,0]=4 63 B12R2.221 c1cc(c2ccoc2c1F)Br CM10761 [0,1,0,0,1,0|2,0,0]=4 64 B12R2.246 Cc1cc(cc2c1occ2)Br CM10738 [0,1,0,0,1,0|2,0,0]=4 65 B12R2.246 Cc1cc2ccoc2c(c1)Br CM10743 [0,1,0,0,1,0|2,0,0]=4 66 B12R2.246 c1c(cc(c2c1[nH]nc2)O)Cl CM10816 [0,1,0,0,1,0|2,0,0]=4 67 B12R2.246 c1c[nH]c2c1c(cc(c2)F)F CM13599 [0,1,0,0,1,0|2,0,0]=4 68 B12R2.246 c1c[nH]c2c1cc(cc2F)F CM13602 [0,1,0,0,1,0|1,0,1]=4 69 B12R2.246 c1coc2c1cc(cc2Br)Br CM10747 [0,1,0,0,1,0|2,0,0]=4 70 B12R2.246 c1coc2c1cc(cc2Br)Cl CM10736 [0,1,0,0,1,0|2,0,0]=4 71 B12R2.246 c1coc2c1cc(cc2Br)F CM10730 [0,1,0,0,1,0|2,0,0]=4 72 B12R2.246 c1coc2c1cc(cc2Br)O CM10764 [0,1,0,0,1,0|2,0,0]=4 73 B12R2.246 c1coc2c1cc(cc2F)Br CM10734 [0,1,0,0,1,0|2,0,0]=4 74 B12R2.246 c1csc2c1c(cc(c2)Br)F CM10727 [0,1,0,0,1,0|2,0,0]=4 75 B12R2.315 COc1ccnc2c1cc[nH]2 CM14134 [0,1,0,0,1,0|2,0,0]=4 76 B12R2.315 c1cc(c2cc[nH]c2c1)C=O CM10925 [0,1,0,0,1,0|1,0,1]=4 77 B12R2.315 c1cc(c2ccoc2c1)C#N CM10758 [0,1,0,0,1,0|2,0,0]=4 78 B12R2.315 c1cc(c2ccoc2c1)C=O CM10759 [0,1,0,0,1,0|1,0,1]=4 79 B14R2.203 c1ccc2c(c1)ccc(c2C=O)O CM11055 [0,2,0,0,0,0|1,0,1]=4 80 B14R2.1019 COc1cc2cccnc2c(c1)Cl CM10082 [0,2,0,0,0,0|1,0,0]=3 81 B10R2.7 c1c[nH]c2c1ccnc2 CM14075 [1,0,0,0,1,0|1,0,1]=4 82 B10R2.7 c1c[nH]c2c1cncc2 CM10258 [1,0,0,0,1,0|1,0,1]=4 83 B10R2.7 c1cc2c(cc[nH]2)nc1 CM14073 [1,0,0,0,1,0|1,0,0]=3 84 B10R2.7 c1cc2cc[nH]c2nc1 CM14215 [1,0,0,0,1,0|1,0,0]=3 85 B10R2.7 c1cc2cn[nH]c2nc1 CM10820 [1,0,0,0,1,0|2,0,0]=4 86 B10R2.7 c1ccn2cccc2c1 CM10848 [1,0,0,0,1,0|1,0,0]=3