0 B11R2.20 c1cc2c(cccn2)nc1 CM10135 [0,0,0,0,0,0|3,0,0]=3 1 B11R2.20 c1ccc2cnccc2c1 CM14380 [0,0,0,0,0,0|0,0,0]=0 2 B11R2.20 c1cncc2c1NCCC2 CM10439 [0,0,0,0,0,0|1,0,3]=4 3 B12R2.24 c1cc(=O)[nH]c2c1cncc2 CM10284 [0,1,0,0,0,0|1,0,0]=2 4 B12R2.24 c1cc(cc2c1ccnc2)O CM10593 [0,1,0,0,0,0|0,0,0]=1 5 B12R2.24 c1cc2c(ccc(n2)O)nc1 CM10314 [0,1,0,0,0,0|3,0,0]=4 6 B12R2.24 c1cc2cc(ccc2nc1)I CM13892 [0,1,0,0,0,0|2,0,0]=3 7 B12R2.24 c1cc2cnccc2cc1F CM10586 [0,1,0,0,0,0|0,0,0]=1 8 B12R2.24 c1ccc2c(c1)[nH]c(=O)cn2 CM14099 [0,1,0,0,0,0|3,0,0]=4 9 B12R2.1081 c1cc2cnccc2c(c1)Br CM10257 [0,1,0,0,0,0|0,0,0]=1 10 B12R2.1081 c1cc2cnccc2c(c1)N CM10928 [0,1,0,0,0,0|0,0,0]=1 11 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 CM10829 [0,1,0,0,0,0|2,0,1]=4 12 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 CM13881 [0,1,0,0,0,0|2,0,1]=4 13 B12R2.1081 c1ccc2c(c1)CCOC2=O CM10132 [0,1,0,0,0,0|1,0,2]=4 14 B12R2.1081 c1ccc2c(c1)cccc2I CM13878 [0,1,0,0,0,0|1,0,0]=2 15 B12R2.1081 c1ccc2c(c1)ccnc2Cl CM10596 [0,1,0,0,0,0|0,0,0]=1 16 B12R2.1081 c1ccc2c(c1)ccnc2N CM10316 [0,1,0,0,0,0|0,0,0]=1 17 B10R1.4 c1ccc(c(c1)C=NO)F CM12025 [0,0,1,0,0,0|2,0,0]=3 18 B10R2.7 c1c[nH]c2c1ccnc2 CM14075 [0,0,0,0,1,0|1,0,0]=2 19 B10R2.7 c1c[nH]c2c1cncc2 CM10258 [0,0,0,0,1,0|1,0,0]=2 20 B10R2.7 c1cc2c(cc[nH]2)nc1 CM14073 [0,0,0,0,1,0|1,0,1]=3 21 B10R2.7 c1cc2cc[nH]c2nc1 CM14215 [0,0,0,0,1,0|1,0,1]=3 22 B10R2.7 c1cc2cn[nH]c2nc1 CM10820 [0,0,0,0,1,0|2,0,0]=3 23 B10R2.7 c1ccc2c(c1)CNC2 CM10320 [0,0,0,0,1,0|0,0,3]=4 24 B10R2.7 c1ccn2cccc2c1 CM10848 [0,0,0,0,1,0|1,0,0]=2 25 B9R1.15 Cc1ccncc1C=O CM10260 [1,0,1,0,0,0|1,0,1]=4 26 B9R1.15 c1ccc(c(c1)C=O)I CM11995 [1,0,1,0,0,0|2,0,0]=4 27 B11R2.1 Cc1c2ccccc2[nH]n1 CM10785 [0,1,0,0,1,0|1,0,0]=3 28 B11R2.1 Cn1c2ccccc2nn1 CM11059 [0,1,0,0,1,0|2,0,0]=4 29 B11R2.1 c1cc2c(n[nH]c2nc1)N CM10550 [0,1,0,0,1,0|2,0,0]=4 30 B11R2.1 c1ccc2c(c1)CNC2=O CM10840 [0,1,0,0,1,0|0,0,2]=4 31 B11R2.1 c1ccc2c(c1)c(=O)[nH][nH]2 CM10841 [0,1,0,0,1,0|1,0,1]=4 32 B11R2.1 c1ccc2c(c1)c(co2)Br CM10750 [0,1,0,0,1,0|1,0,0]=3 33 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br CM10098 [0,1,0,0,1,0|1,0,0]=3 34 B11R2.1 c1ccc2c(c1)c(no2)Cl CM10136 [0,1,0,0,1,0|1,0,0]=3 35 B11R2.1 c1ccc2c(c1)c(no2)O CM10137 [0,1,0,0,1,0|1,0,0]=3 36 B11R2.10 Cc1cn2ccccc2n1 CM10614 [0,1,0,0,1,0|1,0,0]=3 37 B11R2.10 c1cncc2c1sc(n2)N CM10620 [0,1,0,0,1,0|2,0,0]=4 38 B11R2.36 Cc1ccc2c(c1)cco2 CM10745 [0,1,0,0,1,0|1,0,0]=3 39 B11R2.36 Cc1ccc2ccsc2c1 CM10722 [0,1,0,0,1,0|1,0,0]=3 40 B11R2.36 Cc1ccn2ccnc2n1 CM10610 [0,1,0,0,1,0|2,0,0]=4 41 B11R2.36 c1c2c(cnc1Br)cn[nH]2 CM10811 [0,1,0,0,1,0|2,0,0]=4 42 B11R2.36 c1c2c(cnc1Cl)cn[nH]2 CM10810 [0,1,0,0,1,0|2,0,0]=4 43 B11R2.36 c1c2cn[nH]c2cnc1Cl CM10808 [0,1,0,0,1,0|2,0,0]=4 44 B11R2.36 c1c2cn[nH]c2ncc1Br CM14222 [0,1,0,0,1,0|2,0,0]=4 45 B11R2.36 c1c[nH]c2c1ncc(c2)Br CM14253 [0,1,0,0,1,0|1,0,1]=4 46 B11R2.36 c1cc(cc2c1cc[nH]2)F CM13607 [0,1,0,0,1,0|0,0,1]=3 47 B11R2.36 c1cc(cc2c1cco2)Br CM10729 [0,1,0,0,1,0|1,0,0]=3 48 B11R2.36 c1cc(cc2c1cco2)O CM10757 [0,1,0,0,1,0|1,0,0]=3 49 B11R2.36 c1cc(cc2c1ccs2)Br CM10504 [0,1,0,0,1,0|1,0,0]=3 50 B11R2.36 c1cc(nc2c1cn[nH]2)Cl CM10821 [0,1,0,0,1,0|2,0,0]=4 51 B11R2.36 c1cc(nc2c1nco2)Br CM10094 [0,1,0,0,1,0|2,0,0]=4 52 B11R2.36 c1cc2c(cc1I)cn[nH]2 CM10802 [0,1,0,0,1,0|1,0,0]=3 53 B11R2.36 c1cc2c(cc1N)scn2 CM14358 [0,1,0,0,1,0|1,0,0]=3 54 B11R2.36 c1cc2c(cc[nH]2)cc1F CM13606 [0,1,0,0,1,0|0,0,1]=3 55 B11R2.36 c1cc2c(cco2)cc1Br CM10728 [0,1,0,0,1,0|1,0,0]=3 56 B11R2.36 c1cc2c(cco2)cc1Cl CM10740 [0,1,0,0,1,0|1,0,0]=3 57 B11R2.36 c1cc2c(cco2)cc1F CM10741 [0,1,0,0,1,0|1,0,0]=3 58 B11R2.36 c1cc2c(ccs2)cc1Br CM10617 [0,1,0,0,1,0|1,0,0]=3 59 B11R2.36 c1cn2c(cc1Br)cnn2 CM10393 [0,1,0,0,1,0|2,0,0]=4 60 B11R2.106 Cc1cccc2c1ccs2 CM10545 [0,1,0,0,1,0|1,0,0]=3 61 B11R2.106 Cc1cccc2c1occ2 CM10746 [0,1,0,0,1,0|1,0,0]=3 62 B11R2.106 c1c[nH]c2c1c(ccn2)Br CM14081 [0,1,0,0,1,0|1,0,1]=4 63 B11R2.106 c1c[nH]c2c1c(ccn2)Cl CM14082 [0,1,0,0,1,0|1,0,1]=4 64 B11R2.106 c1cc(c2c(c1)ocn2)N CM10312 [0,1,0,0,1,0|1,0,0]=3 65 B11R2.106 c1cc(c2ccoc2c1)O CM10739 [0,1,0,0,1,0|1,0,0]=3 66 B11R2.106 c1cc(c2ccsc2c1)F CM10724 [0,1,0,0,1,0|1,0,0]=3 67 B11R2.106 c1cc2c(cc[nH]2)c(c1)F CM13604 [0,1,0,0,1,0|0,0,1]=3 68 B11R2.106 c1cc2c(ccs2)c(c1)Br CM10723 [0,1,0,0,1,0|1,0,0]=3 69 B11R2.106 c1cc2cc[nH]c2c(c1)F CM13609 [0,1,0,0,1,0|0,0,1]=3 70 B11R2.106 c1cc2ccoc2c(c1)Br CM10530 [0,1,0,0,1,0|1,0,0]=3 71 B11R2.106 c1cc2ccoc2c(c1)Cl CM10751 [0,1,0,0,1,0|1,0,0]=3 72 B11R2.106 c1cc2ccoc2c(c1)F CM10752 [0,1,0,0,1,0|1,0,0]=3 73 B11R2.106 c1cnc(c2c1[nH]nc2)Cl CM10809 [0,1,0,0,1,0|2,0,0]=4 74 B11R2.106 c1cnc(c2c1occ2)Cl CM14121 [0,1,0,0,1,0|1,0,0]=3 75 B11R2.106 c1cnc2c(c1Br)cn[nH]2 CM10543 [0,1,0,0,1,0|2,0,0]=4 76 B11R2.106 c1cnc2c(c1Cl)cn[nH]2 CM10812 [0,1,0,0,1,0|2,0,0]=4 77 B11R2.106 c1csc2c1c(cnc2)Br CM10775 [0,1,0,0,1,0|1,0,0]=3 78 B13R2.32 c1ccc2c(c1)ccc(c2O)Br CM11054 [0,2,0,0,0,0|1,0,0]=3 79 B13R2.32 c1ccc2c(c1)cnc(c2Br)N CM10321 [0,2,0,0,0,0|0,0,0]=2 80 B13R2.57 [C-]#[N+]c1ccc2ccccc2c1 CM14093 [0,2,0,0,0,0|1,0,0]=3 81 B13R2.57 c1ccc2cc(ccc2c1)CCl CM13877 [0,2,0,0,0,0|1,0,0]=3 82 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O CM10300 [0,2,0,0,0,0|2,0,0]=4 83 B13R2.155 c1cc(cc2c1ccc(n2)Cl)Br CM10598 [0,2,0,0,0,0|2,0,0]=4 84 B13R2.162 c1cc2c(cc1O)c(=O)[nH]cn2 CM10276 [0,2,0,0,0,0|1,0,1]=4 85 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)Br CM10591 [0,2,0,0,0,0|2,0,0]=4 86 B13R2.162 c1cc2ccc(nc2c(c1)Br)N CM10275 [0,2,0,0,0,0|2,0,0]=4 87 B13R2.328 Cc1cc2ccccc2c(n1)O CM10269 [0,2,0,0,0,0|0,0,0]=2 88 B13R2.328 c1ccc2c(c1)c(=O)cc([nH]2)N CM10363 [0,2,0,0,0,0|2,0,0]=4 89 B13R2.328 c1ccc2c(c1)c(cc(n2)Br)N CM10156 [0,2,0,0,0,0|2,0,0]=4 90 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Br CM10588 [0,2,0,0,0,0|2,0,0]=4 91 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Cl CM10367 [0,2,0,0,0,0|2,0,0]=4 92 B13R2.328 c1ccc2c(c1)c(nc(n2)Cl)Cl CM14418 [0,2,0,0,0,0|1,0,0]=3 93 B13R2.328 c1ccc2c(c1)c(nc(n2)N)O CM10369 [0,2,0,0,0,0|1,0,0]=3 94 B13R2.328 c1ccc2c(c1)c(nc(n2)O)O CM14472 [0,2,0,0,0,0|1,0,0]=3 95 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)Br CM10592 [0,2,0,0,0,0|2,0,0]=4 96 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)N CM10291 [0,2,0,0,0,0|2,0,0]=4 97 B13R2.3683 c1cc(cc2c1cc(cc2)Cl)O CM10628 [0,2,0,0,0,0|1,0,0]=3 98 B13R2.3683 c1cc(cc2c1cc(cc2)F)N CM10501 [0,2,0,0,0,0|1,0,0]=3 99 B13R2.3683 c1cc(cc2c1cc(cc2)F)O CM10502 [0,2,0,0,0,0|1,0,0]=3 100 B13R2.5179 c1cc2c(ccc(n2)N)c(c1)Br CM10587 [0,2,0,0,0,0|2,0,0]=4 101 B13R2.5179 c1cc2cc(cnc2c(c1)Br)I CM10183 [0,2,0,0,0,0|2,0,0]=4 102 B13R2.342 c1cc2c(ccnc2Cl)c(c1)Br CM10590 [0,2,0,0,0,0|0,0,0]=2 103 B13R2.342 c1cc2c(ccnc2N)c(c1)Br CM10589 [0,2,0,0,0,0|0,0,0]=2 104 B13R2.342 c1cc2c(ccnc2O)c(c1)Br CM10594 [0,2,0,0,0,0|0,0,0]=2 105 B13R2.1613 c1ccc2c(c1)c(ccn2)C=O CM10595 [0,2,0,0,0,0|2,0,0]=4 106 B13R2.1613 c1ccc2c(c1)c(ccn2)CO CM10355 [0,2,0,0,0,0|2,0,0]=4 107 B13R2.1613 c1ccc2c(c1)cncc2C=O CM10264 [0,2,0,0,0,0|0,0,0]=2