0 B9R1.8 c1ccc(cc1)CNN CM14002 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.8 c1ccc(cc1)CNO CM10002 [0,0,0,0,0,0|1,0,1]=2 2 B8R1.2 COc1cccnc1 CM10357 [1,0,0,0,0,0|2,0,1]=4 3 B10R1.1 Cc1ccc(cc1)CC#N CM13728 [0,1,0,0,0,0|1,0,1]=3 4 B10R1.1 c1cc(ccc1CC#N)F CM13705 [0,1,0,0,0,0|1,0,1]=3 5 B10R1.1 c1cc(ccc1CCBr)Cl CM13503 [0,1,0,0,0,0|1,0,1]=3 6 B10R1.1 c1cc(ccc1CCBr)F CM13509 [0,1,0,0,0,0|1,0,1]=3 7 B10R1.1 c1cc(ccc1CCCl)Cl CM13502 [0,1,0,0,0,0|1,0,1]=3 8 B10R1.1 c1cc(ccc1CCO)Cl CM13495 [0,1,0,0,0,0|0,0,2]=3 9 B10R1.1 c1cc(ccc1CCO)F CM13508 [0,1,0,0,0,0|0,0,2]=3 10 B10R1.1 c1cc(ccc1CCO)O CM10966 [0,1,0,0,0,0|0,0,2]=3 11 B10R1.1 c1cc(ccc1N=C=O)F CM13772 [0,1,0,0,0,0|1,0,1]=3 12 B10R1.1 c1cc(ccc1N=C=S)F CM13773 [0,1,0,0,0,0|1,1,1]=4 13 B10R1.4 c1ccc(c(c1)C=NO)F CM12025 [0,1,0,0,0,0|1,0,2]=4 14 B10R1.4 c1ccc(c(c1)CC#N)N CM13645 [0,1,0,0,0,0|1,0,1]=3 15 B10R1.4 c1ccc(c(c1)CCO)Br CM13494 [0,1,0,0,0,0|0,0,2]=3 16 B10R1.10 c1cc(cc(c1)Br)CC#N CM13649 [0,1,0,0,0,0|1,0,1]=3 17 B10R1.10 c1cc(cc(c1)F)CC#N CM13701 [0,1,0,0,0,0|1,0,1]=3 18 B10R1.10 c1cc(cc(c1)F)CCN CM13556 [0,1,0,0,0,0|1,0,1]=3 19 B10R1.10 c1cc(cc(c1)F)CCO CM13507 [0,1,0,0,0,0|0,0,2]=3 20 B10R1.10 c1cc(cc(c1)N)CC#N CM13646 [0,1,0,0,0,0|1,0,1]=3 21 B10R1.10 c1cc(cc(c1)N)CCO CM10010 [0,1,0,0,0,0|0,0,2]=3 22 B10R1.10 c1cc(cc(c1)O)CNN CM14001 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.15 CCC(C)c1ccccc1 CM12120 [0,1,0,0,0,0|1,0,1]=3 24 B10R1.15 c1ccc(cc1)C(=O)CF CM11196 [0,1,0,0,0,0|1,0,2]=4 25 B10R1.15 c1ccc(cc1)C(C#N)N CM11081 [0,1,0,0,0,0|1,0,1]=3 26 B10R2.7 c1c[nH]c2c1ccnc2 CM14075 [0,0,0,1,0,0|2,0,1]=4 27 B10R2.7 c1c[nH]c2c1cncc2 CM10258 [0,0,0,1,0,0|2,0,1]=4 28 B10R2.7 c1cc2c(cc[nH]2)nc1 CM14073 [0,0,0,1,0,0|2,0,1]=4 29 B10R2.7 c1cc2cc[nH]c2nc1 CM14215 [0,0,0,1,0,0|2,0,1]=4 30 B10R2.7 c1ccc2c(c1)CNC2 CM10320 [0,0,0,1,0,0|2,0,0]=3 31 B10R2.7 c1ccn2cccc2c1 CM10848 [0,0,0,1,0,0|2,0,1]=4 32 B7R1.3 c1cc(cnc1)F CM13853 [2,0,0,0,0,0|2,0,0]=4 33 B7R1.3 c1ccnc(c1)Cl CM13847 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.1 C=Cc1ccc(nc1)Br CM10147 [1,1,0,0,0,0|1,0,1]=4 35 B9R1.1 CCc1ccc(cc1)F CM10050 [1,1,0,0,0,0|0,0,1]=3 36 B9R1.1 CCc1ccc(cn1)Br CM10444 [1,1,0,0,0,0|1,0,1]=4 37 B9R1.1 CNc1ccc(cc1)I CM11495 [1,1,0,0,0,0|1,0,1]=4 38 B9R1.1 COc1ccc(cc1)F CM11749 [1,1,0,0,0,0|1,0,1]=4 39 B9R1.1 c1c(cnc(n1)N)C=O CM10089 [1,1,0,0,0,0|2,0,0]=4 40 B9R1.1 c1cc(ccc1C#N)Cl CM12995 [1,1,0,0,0,0|1,0,1]=4 41 B9R1.1 c1cc(ccc1C#N)I CM13127 [1,1,0,0,0,0|1,0,1]=4 42 B9R1.1 c1cc(ccc1C=O)F CM11946 [1,1,0,0,0,0|0,0,0]=2 43 B9R1.1 c1cc(ccc1C=O)I CM11996 [1,1,0,0,0,0|0,0,0]=2 44 B9R1.1 c1cc(ccc1CCl)F CM13407 [1,1,0,0,0,0|1,0,0]=3 45 B9R1.1 c1cc(ccc1CO)F CM13405 [1,1,0,0,0,0|0,0,1]=3 46 B9R1.1 c1cc(ccc1CO)N CM13264 [1,1,0,0,0,0|0,0,1]=3 47 B9R1.1 c1cc(ccc1NN)F CM13799 [1,1,0,0,0,0|2,0,0]=4 48 B9R1.1 c1cc(ncc1C=O)Br CM13843 [1,1,0,0,0,0|1,0,0]=3 49 B9R1.2 CCc1cccc(c1)Br CM12087 [1,1,0,0,0,0|0,0,1]=3 50 B9R1.2 CCc1cccc(c1)N CM11452 [1,1,0,0,0,0|0,0,1]=3 51 B9R1.2 CNc1cccc(c1)O CM10115 [1,1,0,0,0,0|1,0,1]=4 52 B9R1.2 Cc1cccc(c1)CF CM13445 [1,1,0,0,0,0|1,0,0]=3 53 B9R1.2 c1cc(cc(c1)F)C#N CM13067 [1,1,0,0,0,0|1,0,1]=4 54 B9R1.2 c1cc(cc(c1)I)CBr CM13435 [1,1,0,0,0,0|1,0,0]=3 55 B9R1.2 c1cc(cc(c1)I)CN CM10968 [1,1,0,0,0,0|1,0,0]=3 56 B9R1.2 c1cnc(cc1CO)N CM14035 [1,1,0,0,0,0|1,0,1]=4 57 B9R1.6 c1cc(c[nH+]c1)C(=N)N CM13840 [1,1,0,0,0,0|2,0,0]=4 58 B9R1.6 c1ccnc(c1)C(=N)N CM13839 [1,1,0,0,0,0|2,0,0]=4 59 B9R1.6 c1cncnc1C(=O)O CM10263 [1,1,0,0,0,0|2,0,0]=4 60 B9R1.15 CCc1c(cccn1)Br CM10670 [1,1,0,0,0,0|1,0,1]=4 61 B9R1.15 CSc1ccccc1I CM11822 [1,1,0,0,0,0|1,0,1]=4 62 B9R1.15 Cc1ccncc1C=O CM10260 [1,1,0,0,0,0|1,0,0]=3 63 B9R1.15 c1ccc(c(c1)C#N)F CM13066 [1,1,0,0,0,0|1,0,1]=4 64 B9R1.15 c1ccc(c(c1)C#N)I CM13126 [1,1,0,0,0,0|1,0,1]=4 65 B9R1.15 c1ccc(c(c1)C=O)I CM11995 [1,1,0,0,0,0|0,0,0]=2 66 B9R1.15 c1ccc(c(c1)CBr)Cl CM13308 [1,1,0,0,0,0|1,0,0]=3 67 B9R1.15 c1ccc(c(c1)CCl)F CM13406 [1,1,0,0,0,0|1,0,0]=3 68 B9R1.15 c1ccc(c(c1)CN)F CM13538 [1,1,0,0,0,0|1,0,0]=3 69 B9R1.15 c1ccc(c(c1)NN)Br CM13792 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.1 c1cc(ccc1CN=C=O)F CM13788 [0,2,0,0,0,0|0,0,1]=3 71 B11R1.1 c1cc(ccc1OCCBr)Cl CM12086 [0,2,0,0,0,0|1,0,1]=4 72 B11R1.20 CC(=O)Cc1ccc(cc1)Cl CM10951 [0,2,0,0,0,0|0,0,0]=2 73 B11R1.20 CC(=O)Cc1ccc(cc1)F CM10927 [0,2,0,0,0,0|0,0,0]=2 74 B11R1.20 CC(=O)Oc1ccc(cc1)F CM12027 [0,2,0,0,0,0|1,0,0]=3 75 B11R1.20 CC(C)Cc1ccc(cc1)Br CM12109 [0,2,0,0,0,0|1,0,1]=4 76 B11R1.20 c1cc(ccc1CC(=O)O)F CM13704 [0,2,0,0,0,0|0,0,0]=2 77 B11R1.20 c1cc(ccc1F)[ClH]C(=O)[O-] CM13921 [0,2,0,0,0,0|1,0,0]=3 78 B11R1.20 c1cc(ccc1[ClH]C(=O)[O-])Br CM13923 [0,2,0,0,0,0|1,0,0]=3 79 B11R1.22 c1cc(ccc1C(CO)O)Br CM10185 [0,2,0,0,0,0|0,0,2]=4 80 B11R1.81 c1cc(c(cc1Br)Br)CC#N CM13688 [0,2,0,0,0,0|1,0,1]=4 81 B11R1.81 c1cc(c(cc1Br)F)CC#N CM13656 [0,2,0,0,0,0|1,0,1]=4 82 B11R1.81 c1cc(c(cc1Cl)F)CC#N CM13671 [0,2,0,0,0,0|1,0,1]=4 83 B11R1.81 c1cc(c(cc1F)F)CC#N CM13691 [0,2,0,0,0,0|1,0,1]=4 84 B11R1.81 c1cc(c(cc1F)F)N=C=O CM13767 [0,2,0,0,0,0|1,0,1]=4 85 B11R1.192 COCc1ccc(c(c1)F)Br CM13295 [0,2,0,0,0,0|2,0,0]=4 86 B11R1.192 Cc1cc(ccc1Cl)N=C=O CM13764 [0,2,0,0,0,0|1,0,1]=4 87 B11R1.192 c1cc(c(cc1CC#N)Br)F CM13654 [0,2,0,0,0,0|1,0,1]=4 88 B11R1.192 c1cc(c(cc1CC#N)F)Br CM13657 [0,2,0,0,0,0|1,0,1]=4 89 B11R1.192 c1cc(c(cc1CC#N)F)Cl CM13674 [0,2,0,0,0,0|1,0,1]=4 90 B11R1.192 c1cc(c(cc1CC#N)F)F CM13692 [0,2,0,0,0,0|1,0,1]=4 91 B11R1.13 c1cc(c(c(c1)Cl)F)CC#N CM13666 [0,2,0,0,0,0|1,0,1]=4 92 B11R1.13 c1cc(c(c(c1)F)Cl)N=C=O CM13762 [0,2,0,0,0,0|1,0,1]=4 93 B11R1.41 c1ccc(c(c1)C#N)N=C=O CM13766 [0,2,0,0,0,0|1,0,1]=4 94 B11R1.86 CC(=O)Cc1ccccc1Cl CM10944 [0,2,0,0,0,0|0,0,0]=2 95 B11R1.86 CC(=O)Cc1ccccc1F CM10960 [0,2,0,0,0,0|0,0,0]=2 96 B11R1.182 Cc1ccc(c(c1)N=C=O)Cl CM13763 [0,2,0,0,0,0|1,0,1]=4 97 B11R1.182 Cc1ccc(c(c1)N=C=O)F CM13774 [0,2,0,0,0,0|1,0,1]=4 98 B11R1.182 c1cc(c(cc1Cl)CC#N)Br CM13650 [0,2,0,0,0,0|1,0,1]=4 99 B11R1.222 CCC(C)c1ccccc1N CM11342 [0,2,0,0,0,0|1,0,1]=4 100 B11R1.24 c1cc(cc(c1)Cl)OCCBr CM12085 [0,2,0,0,0,0|1,0,1]=4 101 B11R1.34 Cc1cc(cc(c1)N=C=O)C CM13769 [0,2,0,0,0,0|1,0,1]=4 102 B11R1.34 c1c(cc(cc1Cl)Br)CC#N CM13651 [0,2,0,0,0,0|1,0,1]=4 103 B11R1.34 c1c(cc(cc1F)Cl)CC#N CM13668 [0,2,0,0,0,0|1,0,1]=4 104 B11R1.157 Cc1cccc(c1)CC(=O)O CM13725 [0,2,0,0,0,0|0,0,0]=2 105 B11R1.157 c1cc(cc(c1)F)CC(=O)O CM13703 [0,2,0,0,0,0|0,0,0]=2 106 B11R1.157 c1cc(cc(c1)I)CC(=O)O CM13719 [0,2,0,0,0,0|0,0,0]=2 107 B11R1.28 c1ccc(cc1)CNCC#N CM10278 [0,2,0,0,0,0|1,0,1]=4 108 B11R1.91 CC(=O)COc1ccccc1 CM11227 [0,2,0,0,0,0|0,0,0]=2 109 B11R2.36 Cc1ccc2c(c1)cco2 CM10745 [0,1,0,1,0,0|0,0,2]=4 110 B11R2.36 Cc1ccc2ccsc2c1 CM10722 [0,1,0,1,0,0|0,1,1]=4 111 B11R2.36 c1cc(cc2c1cc[nH]2)F CM13607 [0,1,0,1,0,0|1,0,1]=4 112 B11R2.36 c1cc(cc2c1cco2)Br CM10729 [0,1,0,1,0,0|0,0,2]=4 113 B11R2.36 c1cc(cc2c1cco2)O CM10757 [0,1,0,1,0,0|0,0,2]=4 114 B11R2.36 c1cc(cc2c1ccs2)Br CM10504 [0,1,0,1,0,0|0,1,1]=4 115 B11R2.36 c1cc2c(cc1Br)CCO2 CM10336 [0,1,0,1,0,0|0,0,2]=4 116 B11R2.36 c1cc2c(cc1Br)CNC2 CM10600 [0,1,0,1,0,0|2,0,0]=4 117 B11R2.36 c1cc2c(cc1Br)OCC2 CM10763 [0,1,0,1,0,0|0,0,2]=4 118 B11R2.36 c1cc2c(cc1Cl)CNC2 CM10601 [0,1,0,1,0,0|2,0,0]=4 119 B11R2.36 c1cc2c(cc1I)CCO2 CM10335 [0,1,0,1,0,0|0,0,2]=4 120 B11R2.36 c1cc2c(cc1N)CCO2 CM10334 [0,1,0,1,0,0|0,0,2]=4 121 B11R2.36 c1cc2c(cc1N)CNC2 CM10305 [0,1,0,1,0,0|2,0,0]=4 122 B11R2.36 c1cc2c(cc1N)scn2 CM14358 [0,1,0,1,0,0|1,1,0]=4 123 B11R2.36 c1cc2c(cc[nH]2)cc1F CM13606 [0,1,0,1,0,0|1,0,1]=4 124 B11R2.36 c1cc2c(cco2)cc1Br CM10728 [0,1,0,1,0,0|0,0,2]=4 125 B11R2.36 c1cc2c(cco2)cc1Cl CM10740 [0,1,0,1,0,0|0,0,2]=4 126 B11R2.36 c1cc2c(cco2)cc1F CM10741 [0,1,0,1,0,0|0,0,2]=4 127 B11R2.36 c1cc2c(ccs2)cc1Br CM10617 [0,1,0,1,0,0|0,1,1]=4 128 B11R2.10 c1ccc2c(c1)CN(C2)N CM10313 [0,1,0,1,0,0|2,0,0]=4 129 B11R2.20 c1ccc2cnccc2c1 CM14380 [0,1,0,1,0,0|1,0,1]=4 130 B11R2.106 Cc1cccc2c1ccs2 CM10545 [0,1,0,1,0,0|0,1,1]=4 131 B11R2.106 Cc1cccc2c1occ2 CM10746 [0,1,0,1,0,0|0,0,2]=4 132 B11R2.106 c1cc(c2c(c1)ocn2)N CM10312 [0,1,0,1,0,0|1,0,1]=4 133 B11R2.106 c1cc(c2ccoc2c1)O CM10739 [0,1,0,1,0,0|0,0,2]=4 134 B11R2.106 c1cc(c2ccsc2c1)F CM10724 [0,1,0,1,0,0|0,1,1]=4 135 B11R2.106 c1cc2c(c(c1)Br)CCN2 CM10331 [0,1,0,1,0,0|1,0,1]=4 136 B11R2.106 c1cc2c(c(c1)F)CCN2 CM13605 [0,1,0,1,0,0|1,0,1]=4 137 B11R2.106 c1cc2c(cc[nH]2)c(c1)F CM13604 [0,1,0,1,0,0|1,0,1]=4 138 B11R2.106 c1cc2c(ccs2)c(c1)Br CM10723 [0,1,0,1,0,0|0,1,1]=4 139 B11R2.106 c1cc2cc[nH]c2c(c1)F CM13609 [0,1,0,1,0,0|1,0,1]=4 140 B11R2.106 c1cc2ccoc2c(c1)Br CM10530 [0,1,0,1,0,0|0,0,2]=4 141 B11R2.106 c1cc2ccoc2c(c1)Cl CM10751 [0,1,0,1,0,0|0,0,2]=4 142 B11R2.106 c1cc2ccoc2c(c1)F CM10752 [0,1,0,1,0,0|0,0,2]=4 143 B11R2.1 Cc1c2ccccc2[nH]n1 CM10785 [0,1,0,1,0,0|2,0,0]=4 144 B11R2.1 c1ccc2c(c1)CNC2=O CM10840 [0,1,0,1,0,0|0,0,0]=2 145 B11R2.1 c1ccc2c(c1)c(=O)[nH][nH]2 CM10841 [0,1,0,1,0,0|1,0,0]=3 146 B11R2.1 c1ccc2c(c1)c(co2)Br CM10750 [0,1,0,1,0,0|0,0,2]=4 147 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br CM10098 [0,1,0,1,0,0|2,0,0]=4 148 B11R2.1 c1ccc2c(c1)c(no2)Cl CM10136 [0,1,0,1,0,0|2,0,0]=4 149 B11R2.1 c1ccc2c(c1)c(no2)O CM10137 [0,1,0,1,0,0|1,0,1]=4 150 B7R1.1 c1c(nc[nH]1)C=O CM14068 [1,0,0,0,1,0|2,0,0]=4 151 B7R1.1 c1cc([nH]c1)C=O CM13861 [1,0,0,0,1,0|1,0,0]=3