0 B12R2.24 c1cc(=O)[nH]c2c1cncc2 CM10284 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.24 c1cc(cc2c1ccnc2)O CM10593 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.24 c1cc2c(ccc(n2)O)nc1 CM10314 [0,0,0,0,0,0|2,0,0]=2 3 B12R2.24 c1cc2cc(ccc2nc1)I CM13892 [0,0,0,0,0,0|1,0,0]=1 4 B12R2.24 c1cc2cnccc2cc1F CM10586 [0,0,0,0,0,0|3,0,0]=3 5 B12R2.24 c1ccc2c(c1)[nH]c(=O)cn2 CM14099 [0,0,0,0,0,0|4,0,0]=4 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|2,0,0]=3 10 B13R2.32 c1ccc2c(c1)cnc(c2Br)N CM10321 [0,1,0,0,0,0|3,0,0]=4 11 B13R2.57 [C-]#[N+]c1ccc2ccccc2c1 CM14093 [0,1,0,0,0,0|1,0,1]=3 12 B13R2.57 c1ccc2cc(ccc2c1)CCl CM13877 [0,1,0,0,0,0|1,0,0]=2 13 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O CM10300 [0,1,0,0,0,0|3,0,0]=4 14 B13R2.155 c1cc(cc2c1ccc(n2)Cl)Br CM10598 [0,1,0,0,0,0|3,0,0]=4 15 B13R2.162 Cc1ccc2c(c1)C(=O)CCC2 CM10572 [0,1,0,0,0,0|1,0,2]=4 16 B13R2.162 c1cc2c(cc1O)c(=O)[nH]cn2 CM10276 [0,1,0,0,0,0|2,0,0]=3 17 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)Br CM10591 [0,1,0,0,0,0|3,0,0]=4 18 B13R2.162 c1cc2ccc(nc2c(c1)Br)N CM10275 [0,1,0,0,0,0|3,0,0]=4 19 B13R2.328 Cc1cc2ccccc2c(n1)O CM10269 [0,1,0,0,0,0|2,0,0]=3 20 B13R2.328 c1ccc2c(c1)c(=O)cc([nH]2)N CM10363 [0,1,0,0,0,0|3,0,0]=4 21 B13R2.328 c1ccc2c(c1)c(cc(n2)Br)N CM10156 [0,1,0,0,0,0|3,0,0]=4 22 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Br CM10588 [0,1,0,0,0,0|3,0,0]=4 23 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Cl CM10367 [0,1,0,0,0,0|3,0,0]=4 24 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)Br CM10592 [0,1,0,0,0,0|1,0,1]=3 25 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)N CM10291 [0,1,0,0,0,0|1,0,1]=3 26 B13R2.3683 c1cc(cc2c1cc(cc2)Cl)O CM10628 [0,1,0,0,0,0|2,0,0]=3 27 B13R2.3683 c1cc(cc2c1cc(cc2)F)N CM10501 [0,1,0,0,0,0|2,0,0]=3 28 B13R2.3683 c1cc(cc2c1cc(cc2)F)O CM10502 [0,1,0,0,0,0|2,0,0]=3 29 B13R2.5179 c1cc2c(ccc(n2)N)c(c1)Br CM10587 [0,1,0,0,0,0|3,0,0]=4 30 B13R2.5179 c1cc2cc(cnc2c(c1)Br)I CM10183 [0,1,0,0,0,0|3,0,0]=4 31 B11R2.1 Cc1c2ccccc2[nH]n1 CM10785 [0,0,0,0,1,0|3,0,0]=4 32 B11R2.1 c1cc2c(n[nH]c2nc1)N CM10550 [0,0,0,0,1,0|3,0,0]=4 33 B11R2.1 c1ccc2c(c1)c(co2)Br CM10750 [0,0,0,0,1,0|3,0,0]=4 34 B11R2.10 Cc1cn2ccccc2n1 CM10614 [0,0,0,0,1,0|3,0,0]=4 35 B11R2.36 Cc1ccc2c(c1)cco2 CM10745 [0,0,0,0,1,0|1,0,0]=2 36 B11R2.36 Cc1ccc2ccsc2c1 CM10722 [0,0,0,0,1,0|1,0,0]=2 37 B11R2.36 Cc1ccn2ccnc2n1 CM10610 [0,0,0,0,1,0|3,0,0]=4 38 B11R2.36 c1c[nH]c2c1ncc(c2)Br CM14253 [0,0,0,0,1,0|3,0,0]=4 39 B11R2.36 c1cc(cc2c1cc[nH]2)F CM13607 [0,0,0,0,1,0|2,0,0]=3 40 B11R2.36 c1cc(cc2c1cco2)Br CM10729 [0,0,0,0,1,0|2,0,0]=3 41 B11R2.36 c1cc(cc2c1cco2)O CM10757 [0,0,0,0,1,0|2,0,0]=3 42 B11R2.36 c1cc(cc2c1ccs2)Br CM10504 [0,0,0,0,1,0|2,0,0]=3 43 B11R2.36 c1cc(nc2c1nco2)Br CM10094 [0,0,0,0,1,0|3,0,0]=4 44 B11R2.36 c1cc2c(cc1I)cn[nH]2 CM10802 [0,0,0,0,1,0|2,0,1]=4 45 B11R2.36 c1cc2c(cc1N)scn2 CM14358 [0,0,0,0,1,0|2,0,0]=3 46 B11R2.36 c1cc2c(cc[nH]2)cc1F CM13606 [0,0,0,0,1,0|1,0,1]=3 47 B11R2.36 c1cc2c(cco2)cc1Br CM10728 [0,0,0,0,1,0|2,0,0]=3 48 B11R2.36 c1cc2c(cco2)cc1Cl CM10740 [0,0,0,0,1,0|2,0,0]=3 49 B11R2.36 c1cc2c(cco2)cc1F CM10741 [0,0,0,0,1,0|2,0,0]=3 50 B11R2.36 c1cc2c(ccs2)cc1Br CM10617 [0,0,0,0,1,0|2,0,0]=3 51 B11R2.36 c1cn2c(cc1Br)cnn2 CM10393 [0,0,0,0,1,0|3,0,0]=4 52 B10R1.25 Cc1ccc(c(c1)F)C=O CM11969 [1,0,1,0,0,0|2,0,0]=4 53 B10R1.30 Cc1ccc(c(c1)C=O)F CM11970 [1,0,1,0,0,0|2,0,0]=4 54 B12R1.100 Cc1cc(cc(c1)I)C=CC#N CM13893 [0,1,1,0,0,0|0,0,2]=4 55 B12R1.226 c1cc(cc(c1)Br)C=CC(=O)O CM13573 [0,1,1,0,0,0|2,0,0]=4 56 B12R2.1081 c1cc2cnccc2c(c1)Br CM10257 [1,1,0,0,0,0|2,0,0]=4 57 B12R2.1081 c1cc2cnccc2c(c1)N CM10928 [1,1,0,0,0,0|2,0,0]=4 58 B12R2.1081 c1ccc2c(c1)cccc2I CM13878 [1,1,0,0,0,0|1,0,0]=3 59 B12R2.1081 c1ccc2c(c1)ccnc2Cl CM10596 [1,1,0,0,0,0|2,0,0]=4 60 B12R2.1081 c1ccc2c(c1)ccnc2N CM10316 [1,1,0,0,0,0|2,0,0]=4 61 B12R2.2028 Cn1cc(c2c1cccc2)Br CM10604 [0,1,0,0,1,0|2,0,0]=4 62 B12R2.606 Cc1cc2cc(ccc2[nH]1)Br CM13592 [0,1,0,0,1,0|2,0,0]=4 63 B12R2.606 Cc1cc2cc(ccc2[nH]1)F CM13612 [0,1,0,0,1,0|2,0,0]=4 64 B12R2.606 Cc1cc2ccc(cc2[nH]1)F CM13613 [0,1,0,0,1,0|2,0,0]=4 65 B12R2.44 c1cc(cc2c1cc[nH]2)C#N CM14079 [0,1,0,0,1,0|1,0,1]=4 66 B12R2.44 c1cc(cc2c1cco2)C#N CM10742 [0,1,0,0,1,0|1,0,1]=4 67 B12R2.44 c1cc(cc2c1cco2)C=O CM10731 [0,1,0,0,1,0|1,0,1]=4 68 B12R2.44 c1cc2c(cco2)cc1C#N CM10753 [0,1,0,0,1,0|1,0,1]=4 69 B12R2.44 c1cc2c(cco2)cc1C=O CM10754 [0,1,0,0,1,0|1,0,1]=4 70 B12R2.82 c1cc(c(c2c1[nH]cc2)F)F CM13598 [0,1,0,0,1,0|1,0,1]=4 71 B12R2.82 c1cc(c(c2c1cco2)Br)F CM10735 [0,1,0,0,1,0|2,0,0]=4 72 B12R2.246 Cc1cc(cc2c1occ2)Br CM10738 [0,1,0,0,1,0|2,0,0]=4 73 B12R2.246 Cc1cc2ccoc2c(c1)Br CM10743 [0,1,0,0,1,0|1,0,0]=3 74 B12R2.246 c1c[nH]c2c1c(cc(c2)F)F CM13599 [0,1,0,0,1,0|2,0,0]=4 75 B12R2.246 c1c[nH]c2c1cc(cc2F)F CM13602 [0,1,0,0,1,0|1,0,1]=4 76 B12R2.246 c1coc2c1cc(cc2Br)Br CM10747 [0,1,0,0,1,0|2,0,0]=4 77 B12R2.246 c1coc2c1cc(cc2Br)Cl CM10736 [0,1,0,0,1,0|2,0,0]=4 78 B12R2.246 c1coc2c1cc(cc2Br)F CM10730 [0,1,0,0,1,0|2,0,0]=4 79 B12R2.246 c1coc2c1cc(cc2Br)O CM10764 [0,1,0,0,1,0|2,0,0]=4 80 B12R2.246 c1coc2c1cc(cc2F)Br CM10734 [0,1,0,0,1,0|2,0,0]=4 81 B12R2.246 c1csc2c1c(cc(c2)Br)F CM10727 [0,1,0,0,1,0|2,0,0]=4 82 B14R2.203 c1ccc2c(c1)ccc(c2C=O)O CM11055 [0,2,0,0,0,0|2,0,0]=4 83 B14R2.8188 c1cc2c(cc(c(c2F)Br)F)nc1 CM14316 [0,2,0,0,0,0|1,0,0]=3 84 B14R2.134 c1cc(cc2c1ccc(c2)O)C#N CM10627 [0,2,0,0,0,0|1,0,1]=4 85 B14R2.1019 COc1cc2cccnc2c(c1)Cl CM10082 [0,2,0,0,0,0|0,0,0]=2 86 B14R2.2332 COc1ccc2cc(ccc2c1)Br CM14460 [0,2,0,0,0,0|1,0,0]=3 87 B14R2.2332 c1cc2c(ccc(n2)Cl)cc1C#N CM10599 [0,2,0,0,0,0|0,0,1]=3 88 B14R2.8235 c1cc2c(cc1Br)c(nc(n2)N)O CM10366 [0,2,0,0,0,0|2,0,0]=4 89 B10R2.7 c1c[nH]c2c1ccnc2 CM14075 [1,0,0,0,1,0|1,0,1]=4 90 B10R2.7 c1c[nH]c2c1cncc2 CM10258 [1,0,0,0,1,0|1,0,1]=4 91 B10R2.7 c1cc2c(cc[nH]2)nc1 CM14073 [1,0,0,0,1,0|1,0,0]=3 92 B10R2.7 c1cc2cc[nH]c2nc1 CM14215 [1,0,0,0,1,0|1,0,0]=3 93 B10R2.7 c1cc2cn[nH]c2nc1 CM10820 [1,0,0,0,1,0|2,0,0]=4 94 B10R2.7 c1ccn2cccc2c1 CM10848 [1,0,0,0,1,0|1,0,0]=3