0 B12R2.1081 c1cc2cnccc2c(c1)Br CM10257 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.1081 c1cc2cnccc2c(c1)N CM10928 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 CM10829 [0,0,0,0,0,0|2,0,2]=4 3 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 CM13881 [0,0,0,0,0,0|2,0,2]=4 4 B12R2.1081 c1ccc2c(c1)CCOC2=O CM10132 [0,0,0,0,0,0|2,0,2]=4 5 B12R2.1081 c1ccc2c(c1)cccc2I CM13878 [0,0,0,0,0,0|1,0,0]=1 6 B12R2.1081 c1ccc2c(c1)ccnc2Cl CM10596 [0,0,0,0,0,0|2,0,0]=2 7 B12R2.1081 c1ccc2c(c1)ccnc2N CM10316 [0,0,0,0,0,0|2,0,0]=2 8 B11R2.20 c1cc2c(cccn2)nc1 CM10135 [1,0,0,0,0,0|2,0,0]=3 9 B11R2.20 c1ccc2cnccc2c1 CM14380 [1,0,0,0,0,0|1,0,0]=2 10 B13R2.32 c1cc2c(c(c1N)Br)nccn2 CM14407 [0,1,0,0,0,0|3,0,0]=4 11 B13R2.32 c1ccc2c(c1)ccc(c2O)Br CM11054 [0,1,0,0,0,0|1,0,0]=2 12 B13R2.32 c1ccc2c(c1)cnc(c2Br)N CM10321 [0,1,0,0,0,0|2,0,0]=3 13 B13R2.162 c1cc2c(cc1O)c(=O)[nH]cn2 CM10276 [0,1,0,0,0,0|3,0,0]=4 14 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)Br CM10591 [0,1,0,0,0,0|2,0,0]=3 15 B13R2.162 c1cc2ccc(nc2c(c1)Br)N CM10275 [0,1,0,0,0,0|2,0,0]=3 16 B13R2.328 Cc1cc2ccccc2c(n1)O CM10269 [0,1,0,0,0,0|2,0,0]=3 17 B13R2.328 c1ccc2c(c1)c(=O)cc([nH]2)N CM10363 [0,1,0,0,0,0|2,0,0]=3 18 B13R2.328 c1ccc2c(c1)c(cc(n2)Br)N CM10156 [0,1,0,0,0,0|2,0,0]=3 19 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Br CM10588 [0,1,0,0,0,0|2,0,0]=3 20 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Cl CM10367 [0,1,0,0,0,0|2,0,0]=3 21 B13R2.328 c1ccc2c(c1)c(nc(n2)Cl)Cl CM14418 [0,1,0,0,0,0|3,0,0]=4 22 B13R2.328 c1ccc2c(c1)c(nc(n2)N)O CM10369 [0,1,0,0,0,0|3,0,0]=4 23 B13R2.328 c1ccc2c(c1)c(nc(n2)O)O CM14472 [0,1,0,0,0,0|3,0,0]=4 24 B13R2.342 Cc1cccc2c1CCCC2=O CM10571 [0,1,0,0,0,0|0,0,3]=4 25 B13R2.342 c1cc2c(ccnc2Cl)c(c1)Br CM10590 [0,1,0,0,0,0|2,0,0]=3 26 B13R2.342 c1cc2c(ccnc2N)c(c1)Br CM10589 [0,1,0,0,0,0|2,0,0]=3 27 B13R2.342 c1cc2c(ccnc2O)c(c1)Br CM10594 [0,1,0,0,0,0|2,0,0]=3 28 B13R2.1613 c1ccc2c(c1)c(ccn2)C=O CM10595 [0,1,0,0,0,0|1,0,1]=3 29 B13R2.1613 c1ccc2c(c1)c(ccn2)CO CM10355 [0,1,0,0,0,0|1,0,0]=2 30 B13R2.1613 c1ccc2c(c1)cncc2C=O CM10264 [0,1,0,0,0,0|1,0,1]=3 31 B13R2.5179 c1cc2c(ccc(n2)N)c(c1)Br CM10587 [0,1,0,0,0,0|2,0,0]=3 32 B13R2.5179 c1cc2cc(cnc2c(c1)Br)I CM10183 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.53 CC(C)c1ccccc1C=O CM10477 [0,0,1,0,0,0|1,0,2]=4 34 B11R2.1 Cc1c2ccccc2[nH]n1 CM10785 [0,0,0,0,1,0|2,0,0]=3 35 B11R2.1 Cn1c2ccccc2nn1 CM11059 [0,0,0,0,1,0|3,0,0]=4 36 B11R2.1 c1ccc2c(c1)CNC2=O CM10840 [0,0,0,0,1,0|2,0,1]=4 37 B11R2.1 c1ccc2c(c1)c(=O)[nH][nH]2 CM10841 [0,0,0,0,1,0|3,0,0]=4 38 B11R2.1 c1ccc2c(c1)c(co2)Br CM10750 [0,0,0,0,1,0|2,0,0]=3 39 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br CM10098 [0,0,0,0,1,0|3,0,0]=4 40 B11R2.1 c1ccc2c(c1)c(no2)Cl CM10136 [0,0,0,0,1,0|3,0,0]=4 41 B11R2.1 c1ccc2c(c1)c(no2)O CM10137 [0,0,0,0,1,0|3,0,0]=4 42 B11R2.106 Cc1cccc2c1ccs2 CM10545 [0,0,0,0,1,0|1,0,0]=2 43 B11R2.106 Cc1cccc2c1occ2 CM10746 [0,0,0,0,1,0|1,0,0]=2 44 B11R2.106 c1c[nH]c2c1c(ccn2)Br CM14081 [0,0,0,0,1,0|3,0,0]=4 45 B11R2.106 c1c[nH]c2c1c(ccn2)Cl CM14082 [0,0,0,0,1,0|3,0,0]=4 46 B11R2.106 c1cc(c2c(c1)ocn2)N CM10312 [0,0,0,0,1,0|3,0,0]=4 47 B11R2.106 c1cc(c2ccoc2c1)O CM10739 [0,0,0,0,1,0|2,0,0]=3 48 B11R2.106 c1cc(c2ccsc2c1)F CM10724 [0,0,0,0,1,0|2,0,0]=3 49 B11R2.106 c1cc2c(cc[nH]2)c(c1)F CM13604 [0,0,0,0,1,0|2,0,0]=3 50 B11R2.106 c1cc2c(ccs2)c(c1)Br CM10723 [0,0,0,0,1,0|2,0,0]=3 51 B11R2.106 c1cc2cc[nH]c2c(c1)F CM13609 [0,0,0,0,1,0|2,0,0]=3 52 B11R2.106 c1cc2ccoc2c(c1)Br CM10530 [0,0,0,0,1,0|2,0,0]=3 53 B11R2.106 c1cc2ccoc2c(c1)Cl CM10751 [0,0,0,0,1,0|2,0,0]=3 54 B11R2.106 c1cc2ccoc2c(c1)F CM10752 [0,0,0,0,1,0|2,0,0]=3 55 B11R2.106 c1cnc(c2c1occ2)Cl CM14121 [0,0,0,0,1,0|3,0,0]=4 56 B11R2.106 c1csc2c1c(cnc2)Br CM10775 [0,0,0,0,1,0|3,0,0]=4 57 B10R1.2 Cc1cccc(c1Cl)C=O CM11894 [1,0,1,0,0,0|2,0,0]=4 58 B10R1.2 Cc1cccc(c1F)C=O CM11968 [1,0,1,0,0,0|2,0,0]=4 59 B10R1.61 CC(=O)c1ccccc1Br CM11134 [1,0,1,0,0,0|2,0,0]=4 60 B10R1.61 CC(=O)c1ccccc1I CM11218 [1,0,1,0,0,0|2,0,0]=4 61 B10R1.245 C=Cc1c(cccc1F)F CM13492 [1,0,1,0,0,0|2,0,0]=4 62 B10R1.245 Cc1cccc(c1C=O)C CM11940 [1,0,1,0,0,0|1,0,1]=4 63 B10R1.245 Cc1cccc(c1C=O)O CM10373 [1,0,1,0,0,0|2,0,0]=4 64 B12R1.100 Cc1cc(cc(c1)I)C=CC#N CM13893 [0,1,1,0,0,0|1,0,1]=4 65 B12R1.226 c1cc(cc(c1)Br)C=CC(=O)O CM13573 [0,1,1,0,0,0|2,0,0]=4 66 B12R2.24 c1cc(=O)[nH]c2c1cncc2 CM10284 [1,1,0,0,0,0|2,0,0]=4 67 B12R2.24 c1cc(cc2c1ccnc2)O CM10593 [1,1,0,0,0,0|1,0,0]=3 68 B12R2.24 c1cc2c(ccc(n2)O)nc1 CM10314 [1,1,0,0,0,0|2,0,0]=4 69 B12R2.24 c1cc2cc(ccc2nc1)I CM13892 [1,1,0,0,0,0|1,0,0]=3 70 B12R2.24 c1cc2cnccc2cc1F CM10586 [1,1,0,0,0,0|1,0,0]=3 71 B12R2.24 c1ccc2c(c1)[nH]c(=O)cn2 CM14099 [1,1,0,0,0,0|2,0,0]=4 72 B12R2.18 Cn1c2ccccc2oc1=O CM14408 [0,1,0,0,1,0|2,0,0]=4 73 B12R2.132 Cc1c2cc(ccc2[nH]n1)Br CM10787 [0,1,0,0,1,0|2,0,0]=4 74 B12R2.132 Cc1c2cc(ccc2[nH]n1)F CM10795 [0,1,0,0,1,0|2,0,0]=4 75 B12R2.132 Cc1c2cc(ccc2[nH]n1)I CM10793 [0,1,0,0,1,0|2,0,0]=4 76 B12R2.132 Cn1c2cc(ccc2cn1)Br CM10481 [0,1,0,0,1,0|2,0,0]=4 77 B12R2.196 Cc1c2cccc(c2[nH]n1)Br CM10790 [0,1,0,0,1,0|2,0,0]=4 78 B12R2.196 Cc1c2cccc(c2[nH]n1)F CM10786 [0,1,0,0,1,0|2,0,0]=4 79 B12R2.196 Cn1c2cccc(c2cn1)O CM10815 [0,1,0,0,1,0|2,0,0]=4 80 B12R2.196 Cn1cnc2c1cccc2Br CM13870 [0,1,0,0,1,0|2,0,0]=4 81 B12R2.203 Cc1c2c(cccc2Br)[nH]n1 CM10789 [0,1,0,0,1,0|2,0,0]=4 82 B12R2.203 Cc1c2c(cccc2F)[nH]n1 CM10794 [0,1,0,0,1,0|2,0,0]=4 83 B12R2.203 Cc1c2c(cccc2[nH]n1)N CM10819 [0,1,0,0,1,0|2,0,0]=4 84 B12R2.612 Cc1c2ccc(cc2[nH]n1)Br CM10788 [0,1,0,0,1,0|2,0,0]=4 85 B12R2.612 Cc1c2ccc(cc2[nH]n1)F CM10796 [0,1,0,0,1,0|2,0,0]=4 86 B12R2.612 Cn1c2ccc(cc2cn1)Br CM10482 [0,1,0,0,1,0|2,0,0]=4 87 B12R2.612 Cn1cnc2c1ccc(c2)Br CM10910 [0,1,0,0,1,0|2,0,0]=4 88 B12R2.2028 Cn1cc(c2c1cccc2)Br CM10604 [0,1,0,0,1,0|1,0,0]=3 89 B12R2.82 c1cc(c(c2c1[nH]cc2)F)F CM13598 [0,1,0,0,1,0|2,0,0]=4 90 B12R2.82 c1cc(c(c2c1cco2)Br)F CM10735 [0,1,0,0,1,0|2,0,0]=4 91 B12R2.221 c1cc(c2c(c1F)cc[nH]2)F CM14078 [0,1,0,0,1,0|2,0,0]=4 92 B12R2.221 c1cc(c2c(c1F)cco2)Br CM10732 [0,1,0,0,1,0|2,0,0]=4 93 B12R2.221 c1cc(c2ccoc2c1F)Br CM10761 [0,1,0,0,1,0|2,0,0]=4 94 B12R2.246 Cc1cc(cc2c1occ2)Br CM10738 [0,1,0,0,1,0|1,0,0]=3 95 B12R2.246 Cc1cc2ccoc2c(c1)Br CM10743 [0,1,0,0,1,0|2,0,0]=4 96 B12R2.246 c1c[nH]c2c1c(cc(c2)F)F CM13599 [0,1,0,0,1,0|2,0,0]=4 97 B12R2.246 c1c[nH]c2c1cc(cc2F)F CM13602 [0,1,0,0,1,0|2,0,0]=4 98 B12R2.246 c1coc2c1cc(cc2Br)Br CM10747 [0,1,0,0,1,0|2,0,0]=4 99 B12R2.246 c1coc2c1cc(cc2Br)Cl CM10736 [0,1,0,0,1,0|2,0,0]=4 100 B12R2.246 c1coc2c1cc(cc2Br)F CM10730 [0,1,0,0,1,0|2,0,0]=4 101 B12R2.246 c1coc2c1cc(cc2Br)O CM10764 [0,1,0,0,1,0|2,0,0]=4 102 B12R2.246 c1coc2c1cc(cc2F)Br CM10734 [0,1,0,0,1,0|2,0,0]=4 103 B12R2.246 c1csc2c1c(cc(c2)Br)F CM10727 [0,1,0,0,1,0|2,0,0]=4 104 B12R2.315 COc1ccnc2c1cc[nH]2 CM14134 [0,1,0,0,1,0|2,0,0]=4 105 B12R2.315 c1cc(c2cc[nH]c2c1)C=O CM10925 [0,1,0,0,1,0|1,0,1]=4 106 B12R2.315 c1cc(c2ccoc2c1)C#N CM10758 [0,1,0,0,1,0|1,0,1]=4 107 B12R2.315 c1cc(c2ccoc2c1)C=O CM10759 [0,1,0,0,1,0|1,0,1]=4 108 B14R2.203 c1ccc2c(c1)ccc(c2C=O)O CM11055 [0,2,0,0,0,0|0,0,1]=3 109 B14R2.8188 c1cc2c(cc(c(c2F)Br)F)nc1 CM14316 [0,2,0,0,0,0|2,0,0]=4 110 B14R2.1019 COc1cc2cccnc2c(c1)Cl CM10082 [0,2,0,0,0,0|2,0,0]=4 111 B14R2.31359 c1cc2cnccc2c(c1)[N+](=O)[O-] CM10265 [0,2,0,0,0,0|2,0,0]=4 112 B14R2.31359 c1ccc2c(c1)ccnc2[N+](=O)[O-] CM10311 [0,2,0,0,0,0|2,0,0]=4 113 B12R2.2 c1ccc(cc1)c2[nH]ccn2 CM10201 [0,0,1,1,0,0|2,0,0]=4 114 B10R2.7 c1c[nH]c2c1ccnc2 CM14075 [1,0,0,0,1,0|2,0,0]=4 115 B10R2.7 c1c[nH]c2c1cncc2 CM10258 [1,0,0,0,1,0|2,0,0]=4 116 B10R2.7 c1cc2c(cc[nH]2)nc1 CM14073 [1,0,0,0,1,0|2,0,0]=4 117 B10R2.7 c1cc2cc[nH]c2nc1 CM14215 [1,0,0,0,1,0|2,0,0]=4 118 B10R2.7 c1ccn2cccc2c1 CM10848 [1,0,0,0,1,0|1,0,0]=3